1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol

C15H22N4O — CID 115378206

IUPAC1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(NCC(O)Cn2cccn2)cc1N(C)C
InChIInChI=1S/C15H22N4O/c1-12-5-6-13(9-15(12)18(2)3)16-10-14(20)11-19-8-4-7-17-19/h4-9,14,16,20H,10-11H2,1-3H3
InChIKeyBWJSQDGEEAFZMH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.73
Rot. Bonds6

About 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol

1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 115378206) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID115378206
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(NCC(O)Cn2cccn2)cc1N(C)C
InChIInChI=1S/C15H22N4O/c1-12-5-6-13(9-15(12)18(2)3)16-10-14(20)11-19-8-4-7-17-19/h4-9,14,16,20H,10-11H2,1-3H3
InChIKeyBWJSQDGEEAFZMH-UHFFFAOYSA-N
XLogP1.73
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 107804842
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol (CID 115378206) is 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol is Cc1ccc(NCC(O)Cn2cccn2)cc1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is BWJSQDGEEAFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-5-6-13(9-15(12)18(2)3)16-10-14(20)11-19-8-4-7-17-19/h4-9,14,16,20H,10-11H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol?
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 115378206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).