[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate

C24H35N3O5 — CID 69363704

IUPAC[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate
SMILESCC1CC=C(n2cc(OC(=O)O)c(N(C(=O)C3CCC(C)CC3)C3CCOCC3)n2)CC1
InChIInChI=1S/C24H35N3O5/c1-16-3-7-18(8-4-16)23(28)27(20-11-13-31-14-12-20)22-21(32-24(29)30)15-26(25-22)19-9-5-17(2)6-10-19/h9,15-18,20H,3-8,10-14H2,1-2H3,(H,29,30)
InChIKeyHZWAFFZRRLGCFR-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.94
Rot. Bonds5

About [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate

[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate (PubChem CID 69363704) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate
PubChem CID69363704
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate
SMILESCC1CC=C(n2cc(OC(=O)O)c(N(C(=O)C3CCC(C)CC3)C3CCOCC3)n2)CC1
InChIInChI=1S/C24H35N3O5/c1-16-3-7-18(8-4-16)23(28)27(20-11-13-31-14-12-20)22-21(32-24(29)30)15-26(25-22)19-9-5-17(2)6-10-19/h9,15-18,20H,3-8,10-14H2,1-2H3,(H,29,30)
InChIKeyHZWAFFZRRLGCFR-UHFFFAOYSA-N
XLogP4.94
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate with MolForge

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Related Compounds

3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid
CID 11706125
[1-(3,5-dimethylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-4-yl] hydrogen carbonate
CID 69362798
[1-(4-chlorophenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-4-yl] hydrogen carbonate
CID 69366758
[1-(4-ethylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-4-yl] hydrogen carbonate
CID 69364006
1-[4-(1-benzofuran-6-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]pyrazole-4-carboxylic acid
CID 69429980
1-[3-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]pyrazole-4-carboxylic acid
CID 69401073
ethyl 1-[3-chloro-4-(furan-2-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]pyrazole-4-carboxylate
CID 69420993
[1-[3-[(2-chlorobenzoyl)amino]phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-4-yl] hydrogen carbonate
CID 69364280
ethyl 3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)pyrazole-4-carboxylate
CID 69399686
ethyl 3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-[4-(3-methyl-1H-indol-2-yl)phenyl]pyrazole-4-carboxylate
CID 69397449
ethyl 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylate
CID 69363810
[3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazol-4-yl] hydrogen carbonate
CID 69365568

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate (CID 69363704) is [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate is CC1CC=C(n2cc(OC(=O)O)c(N(C(=O)C3CCC(C)CC3)C3CCOCC3)n2)CC1.
What is the InChIKey of [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate?
The InChIKey is HZWAFFZRRLGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-16-3-7-18(8-4-16)23(28)27(20-11-13-31-14-12-20)22-21(32-24(29)30)15-26(25-22)19-9-5-17(2)6-10-19/h9,15-18,20H,3-8,10-14H2,1-2H3,(H,29,30).
What are the key properties of [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate?
[3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate has a molecular weight of 445.56 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 69363704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).