1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine

C13H18N4 — CID 114094591

IUPAC1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCc1ccncc1
InChIInChI=1S/C13H18N4/c1-10(2)13-12(9-17(3)16-13)15-8-11-4-6-14-7-5-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyQGKADGGPYHRMST-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine

1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine (PubChem CID 114094591) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
PubChem CID114094591
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCc1ccncc1
InChIInChI=1S/C13H18N4/c1-10(2)13-12(9-17(3)16-13)15-8-11-4-6-14-7-5-11/h4-7,9-10,15H,8H2,1-3H3
InChIKeyQGKADGGPYHRMST-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-propan-2-yl-N-(pyridin-4-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

1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 114262678
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 130500065
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
2-bromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 113456707
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
CID 114281397
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
1-methyl-3-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazol-4-amine
CID 114094624
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 43769110
4-methyl-1-propan-2-yl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560368
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
CID 114262562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine (CID 114094591) is 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine is CC(C)c1nn(C)cc1NCc1ccncc1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine?
The InChIKey is QGKADGGPYHRMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)13-12(9-17(3)16-13)15-8-11-4-6-14-7-5-11/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine?
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 114094591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).