N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

C15H21ClN4 — CID 62490052

IUPACN-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-n2ccc(C(C)C)n2)c(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-10(2)14-5-6-20(19-14)15-13(16)7-12(9-18-15)8-17-11(3)4/h5-7,9-11,17H,8H2,1-4H3
InChIKeyCSBZWVLNWHRNIP-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.54
Rot. Bonds5

About N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62490052) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62490052
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-n2ccc(C(C)C)n2)c(Cl)c1
InChIInChI=1S/C15H21ClN4/c1-10(2)14-5-6-20(19-14)15-13(16)7-12(9-18-15)8-17-11(3)4/h5-7,9-11,17H,8H2,1-4H3
InChIKeyCSBZWVLNWHRNIP-UHFFFAOYSA-N
XLogP3.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-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-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762
2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80639024
N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 63078057
N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 103502958
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280716
N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62930984
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390657
N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62491063
N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62487799
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62492116
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62490052) is N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(-n2ccc(C(C)C)n2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is CSBZWVLNWHRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)14-5-6-20(19-14)15-13(16)7-12(9-18-15)8-17-11(3)4/h5-7,9-11,17H,8H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).