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

C16H24N4O — CID 105057764

IUPAC2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
SMILESCCCn1nc(C)c(N)c1NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-4-10-20-15(14(17)12(2)19-20)18-16(3,11-21)13-8-6-5-7-9-13/h5-9,18,21H,4,10-11,17H2,1-3H3
InChIKeyJLNOGWVIWQKKRI-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.50
Rot. Bonds6

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

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol (PubChem CID 105057764) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
PubChem CID105057764
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
SMILESCCCn1nc(C)c(N)c1NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-4-10-20-15(14(17)12(2)19-20)18-16(3,11-21)13-8-6-5-7-9-13/h5-9,18,21H,4,10-11,17H2,1-3H3
InChIKeyJLNOGWVIWQKKRI-UHFFFAOYSA-N
XLogP2.50
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027996
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060879

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol (CID 105057764) is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol is CCCn1nc(C)c(N)c1NC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is JLNOGWVIWQKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-10-20-15(14(17)12(2)19-20)18-16(3,11-21)13-8-6-5-7-9-13/h5-9,18,21H,4,10-11,17H2,1-3H3.
What are the key properties of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol?
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 288.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105057764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).