4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 65115239

IUPAC4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1[nH]ncc1CNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H23N3O/c1-10-3-5-13(17,6-4-10)9-14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyRAHFUXJRJOAJCM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65115239) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65115239
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1[nH]ncc1CNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H23N3O/c1-10-3-5-13(17,6-4-10)9-14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyRAHFUXJRJOAJCM-UHFFFAOYSA-N
XLogP1.75
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 86808426
1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114665
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108448
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61003066
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
CID 65079880
1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808486
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 65115239) is 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cc1[nH]ncc1CNCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RAHFUXJRJOAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-3-5-13(17,6-4-10)9-14-7-12-8-15-16-11(12)2/h8,10,14,17H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).