(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C19H22N6 — CID 95610632

IUPAC(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESc1ccc(-c2[nH]ncc2CN[C@H]2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C19H22N6/c1-2-6-15(7-3-1)19-16(13-22-24-19)12-20-17-8-5-11-25(14-17)18-9-4-10-21-23-18/h1-4,6-7,9-10,13,17,20H,5,8,11-12,14H2,(H,22,24)/t17-/m0/s1
InChIKeyMDPATHVPUZUBJW-KRWDZBQOSA-N
MW334.43 g/mol
LogP2.63
Rot. Bonds5

About (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95610632) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95610632
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESc1ccc(-c2[nH]ncc2CN[C@H]2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C19H22N6/c1-2-6-15(7-3-1)19-16(13-22-24-19)12-20-17-8-5-11-25(14-17)18-9-4-10-21-23-18/h1-4,6-7,9-10,13,17,20H,5,8,11-12,14H2,(H,22,24)/t17-/m0/s1
InChIKeyMDPATHVPUZUBJW-KRWDZBQOSA-N
XLogP2.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-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

(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337761
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95610632) is (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is c1ccc(-c2[nH]ncc2CN[C@H]2CCCN(c3cccnn3)C2)cc1.
What is the InChIKey of (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is MDPATHVPUZUBJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-6-15(7-3-1)19-16(13-22-24-19)12-20-17-8-5-11-25(14-17)18-9-4-10-21-23-18/h1-4,6-7,9-10,13,17,20H,5,8,11-12,14H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 334.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95610632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).