2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol

C12H21N3O — CID 64830027

IUPAC2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC1(NCc2cnn(CCO)c2)CCCC1
InChIInChI=1S/C12H21N3O/c1-12(4-2-3-5-12)13-8-11-9-14-15(10-11)6-7-16/h9-10,13,16H,2-8H2,1H3
InChIKeyQVLSMSZYNAUHCI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830027) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID64830027
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC1(NCc2cnn(CCO)c2)CCCC1
InChIInChI=1S/C12H21N3O/c1-12(4-2-3-5-12)13-8-11-9-14-15(10-11)6-7-16/h9-10,13,16H,2-8H2,1H3
InChIKeyQVLSMSZYNAUHCI-UHFFFAOYSA-N
XLogP1.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 61365369
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
2-[4-[(1-aminocyclopropyl)methyl]pyrazol-1-yl]ethanol
CID 105439525
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
CID 113347999
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol (CID 64830027) is 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol is CC1(NCc2cnn(CCO)c2)CCCC1.
What is the InChIKey of 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is QVLSMSZYNAUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(4-2-3-5-12)13-8-11-9-14-15(10-11)6-7-16/h9-10,13,16H,2-8H2,1H3.
What are the key properties of 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).