[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol

C16H21N3O — CID 62523609

IUPAC[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C16H21N3O/c20-13-16(8-4-5-9-16)17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2
InChIKeyDMJZDMSHFBKKTG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds5

About [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol

[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol (PubChem CID 62523609) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
PubChem CID62523609
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C16H21N3O/c20-13-16(8-4-5-9-16)17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2
InChIKeyDMJZDMSHFBKKTG-UHFFFAOYSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
2-[1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218093
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
CID 115897888
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
N,N-dimethyl-1-[[[N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571453
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774

Frequently Asked Questions

What is the IUPAC name of [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol (CID 62523609) is [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol is OCC1(NCc2cnn(-c3ccccc3)c2)CCCC1.
What is the InChIKey of [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The InChIKey is DMJZDMSHFBKKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-13-16(8-4-5-9-16)17-10-14-11-18-19(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12,17,20H,4-5,8-10,13H2.
What are the key properties of [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62523609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).