1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine

C16H18N4 — CID 62902643

IUPAC1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
SMILESCC(C)n1cc(NCc2cccc3cccnc23)cn1
InChIInChI=1S/C16H18N4/c1-12(2)20-11-15(10-19-20)18-9-14-6-3-5-13-7-4-8-17-16(13)14/h3-8,10-12,18H,9H2,1-2H3
InChIKeyCIOJTTCBCDOGLL-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.62
Rot. Bonds4

About 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine

1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine (PubChem CID 62902643) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
PubChem CID62902643
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
SMILESCC(C)n1cc(NCc2cccc3cccnc23)cn1
InChIInChI=1S/C16H18N4/c1-12(2)20-11-15(10-19-20)18-9-14-6-3-5-13-7-4-8-17-16(13)14/h3-8,10-12,18H,9H2,1-2H3
InChIKeyCIOJTTCBCDOGLL-UHFFFAOYSA-N
XLogP3.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(quinolin-8-ylmethyl)aniline
CID 28610045
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
CID 62903365
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904071
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 80701571
1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
CID 75434835
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203473
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine (CID 62902643) is 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine is CC(C)n1cc(NCc2cccc3cccnc23)cn1.
What is the InChIKey of 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine?
The InChIKey is CIOJTTCBCDOGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(2)20-11-15(10-19-20)18-9-14-6-3-5-13-7-4-8-17-16(13)14/h3-8,10-12,18H,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine?
1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).