2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol

C15H22N4O — CID 66017879

IUPAC2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
SMILESCCCc1nn(C)c(NCC(O)c2ccccc2)c1N
InChIInChI=1S/C15H22N4O/c1-3-7-12-14(16)15(19(2)18-12)17-10-13(20)11-8-5-4-6-9-11/h4-6,8-9,13,17,20H,3,7,10,16H2,1-2H3
InChIKeyZPKQNZNTMJHBAM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds6

About 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol

2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol (PubChem CID 66017879) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
PubChem CID66017879
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
SMILESCCCc1nn(C)c(NCC(O)c2ccccc2)c1N
InChIInChI=1S/C15H22N4O/c1-3-7-12-14(16)15(19(2)18-12)17-10-13(20)11-8-5-4-6-9-11/h4-6,8-9,13,17,20H,3,7,10,16H2,1-2H3
InChIKeyZPKQNZNTMJHBAM-UHFFFAOYSA-N
XLogP2.10
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 137641438
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821208
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51080201
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 51080208
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51104710
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105203
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105204
[2-[[(1,3-Dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 51105255
[4-[[(1,3-Dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
CID 51105258

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol (CID 66017879) is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol is CCCc1nn(C)c(NCC(O)c2ccccc2)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol?
The InChIKey is ZPKQNZNTMJHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-7-12-14(16)15(19(2)18-12)17-10-13(20)11-8-5-4-6-9-11/h4-6,8-9,13,17,20H,3,7,10,16H2,1-2H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol?
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol has a molecular weight of 274.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol is sourced from PubChem (CID 66017879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).