(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine

C13H17ClN4 — CID 105184173

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(C)nc1
InChIInChI=1S/C13H17ClN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyYZXXBRHCAJTABX-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.70
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 105184173) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID105184173
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(C)nc1
InChIInChI=1S/C13H17ClN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyYZXXBRHCAJTABX-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine 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

(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703
N-[(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183147
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine (CID 105184173) is (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine is CCCn1ncc(Cl)c1C(N)c1ccc(C)nc1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is YZXXBRHCAJTABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 264.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105184173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).