2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol

C10H19N3O — CID 66039398

IUPAC2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(2)11-7-10(3,14)9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3
InChIKeySGJGVAQEZMPHCN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol

2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 66039398) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID66039398
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-8(2)11-7-10(3,14)9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3
InChIKeySGJGVAQEZMPHCN-UHFFFAOYSA-N
XLogP0.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392
2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
CID 111755740
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
CID 133403121
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol (CID 66039398) is 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is SGJGVAQEZMPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)11-7-10(3,14)9-5-12-13(4)6-9/h5-6,8,11,14H,7H2,1-4H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66039398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).