[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

C12H21N3O — CID 62520796

IUPAC[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1[nH]ncc1CNC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-10-11(8-14-15-10)7-13-12(9-16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyHWADGQGZLHCBOK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 62520796) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID62520796
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1[nH]ncc1CNC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-10-11(8-14-15-10)7-13-12(9-16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyHWADGQGZLHCBOK-UHFFFAOYSA-N
XLogP1.50
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 62522547
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865
N,N-dimethyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 86808426
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145336
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759471
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 62520796) is [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is Cc1[nH]ncc1CNC1(CO)CCCCC1.
What is the InChIKey of [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is HWADGQGZLHCBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-11(8-14-15-10)7-13-12(9-16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15).
What are the key properties of [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62520796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).