N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide

C22H36N4O2 — CID 124819111

IUPACN-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
SMILESCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C22H36N4O2/c1-4-20(22(28)24-18-12-8-6-10-16(18)3)26-14-13-19(25-26)21(27)23-17-11-7-5-9-15(17)2/h13-18,20H,4-12H2,1-3H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-,20-/m1/s1
InChIKeyBANKRJPHTSEQJT-ZMIKWESLSA-N
MW388.56 g/mol
LogP3.84
Rot. Bonds6

About N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide

N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide (PubChem CID 124819111) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
PubChem CID124819111
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide
SMILESCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C22H36N4O2/c1-4-20(22(28)24-18-12-8-6-10-16(18)3)26-14-13-19(25-26)21(27)23-17-11-7-5-9-15(17)2/h13-18,20H,4-12H2,1-3H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-,20-/m1/s1
InChIKeyBANKRJPHTSEQJT-ZMIKWESLSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 40622304
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]pentanamide
CID 51405232
4-amino-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62155915
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
CID 115497960
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide (CID 124819111) is N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide is CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)n1ccc(C(=O)N[C@H]2CCCC[C@H]2C)n1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is BANKRJPHTSEQJT-ZMIKWESLSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-4-20(22(28)24-18-12-8-6-10-16(18)3)26-14-13-19(25-26)21(27)23-17-11-7-5-9-15(17)2/h13-18,20H,4-12H2,1-3H3,(H,23,27)(H,24,28)/t15-,16+,17+,18-,20-/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide?
N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxobutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 124819111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).