1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol

C13H23N3O — CID 103157779

IUPAC1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCn1nccc1CNCC(O)CC1CCCC1
InChIInChI=1S/C13H23N3O/c1-16-12(6-7-15-16)9-14-10-13(17)8-11-4-2-3-5-11/h6-7,11,13-14,17H,2-5,8-10H2,1H3
InChIKeyYZEJJNYHDARZCY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds6

About 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol

1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 103157779) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID103157779
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCn1nccc1CNCC(O)CC1CCCC1
InChIInChI=1S/C13H23N3O/c1-16-12(6-7-15-16)9-14-10-13(17)8-11-4-2-3-5-11/h6-7,11,13-14,17H,2-5,8-10H2,1H3
InChIKeyYZEJJNYHDARZCY-UHFFFAOYSA-N
XLogP1.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R,5R)-5-[(1R)-1-hydroxy-11-[(2-methylpyrazol-3-yl)methylamino]undecyl]oxolan-2-yl]tridecan-1-ol
CID 72197692
5,5-Dimethyl-2-[(2-methylpyrazol-3-yl)methylamino]hexane-1,4-diol
CID 121589438
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
2-(Ethylamino)-2-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64808841
2-Methyl-2-(methylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64809886
2-Methyl-2-(propylamino)-6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64811565
[1-(Methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
CID 79581060
[1-(Ethylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
CID 79586434
1-Cyclopentyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 103160367
1-Cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 104753195
1-Cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 113449231
3-Amino-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 113574084

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol (CID 103157779) is 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol is Cn1nccc1CNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is YZEJJNYHDARZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-12(6-7-15-16)9-14-10-13(17)8-11-4-2-3-5-11/h6-7,11,13-14,17H,2-5,8-10H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103157779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).