1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol

C16H29N3O — CID 63932481

IUPAC1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H29N3O/c1-13-6-5-7-16(20,8-13)12-17-9-14-10-18-19(11-14)15(2,3)4/h10-11,13,17,20H,5-9,12H2,1-4H3
InChIKeyUWVKSNFDVKFAMY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds4

About 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63932481) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63932481
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H29N3O/c1-13-6-5-7-16(20,8-13)12-17-9-14-10-18-19(11-14)15(2,3)4/h10-11,13,17,20H,5-9,12H2,1-4H3
InChIKeyUWVKSNFDVKFAMY-UHFFFAOYSA-N
XLogP2.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753060
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
1-(1-tert-butylpyrazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528628
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
3-methyl-1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 107042478
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
4-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103254382

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol (CID 63932481) is 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2cnn(C(C)(C)C)c2)C1.
What is the InChIKey of 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is UWVKSNFDVKFAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-6-5-7-16(20,8-13)12-17-9-14-10-18-19(11-14)15(2,3)4/h10-11,13,17,20H,5-9,12H2,1-4H3.
What are the key properties of 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63932481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).