1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C12H19N5O — CID 106044829

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1c(CNCC(O)Cn2cccn2)cnn1C
InChIInChI=1S/C12H19N5O/c1-10-11(7-15-16(10)2)6-13-8-12(18)9-17-5-3-4-14-17/h3-5,7,12-13,18H,6,8-9H2,1-2H3
InChIKeyJMHVVNWVELGRMF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.08
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 106044829) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID106044829
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1c(CNCC(O)Cn2cccn2)cnn1C
InChIInChI=1S/C12H19N5O/c1-10-11(7-15-16(10)2)6-13-8-12(18)9-17-5-3-4-14-17/h3-5,7,12-13,18H,6,8-9H2,1-2H3
InChIKeyJMHVVNWVELGRMF-UHFFFAOYSA-N
XLogP0.08
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 106044829) is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is Cc1c(CNCC(O)Cn2cccn2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is JMHVVNWVELGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10-11(7-15-16(10)2)6-13-8-12(18)9-17-5-3-4-14-17/h3-5,7,12-13,18H,6,8-9H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 249.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 106044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).