1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine

C21H25N5 — CID 75430820

IUPAC1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
SMILESCn1nc(-c2ccncc2)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N5/c1-25-21(15-20(24-25)18-7-11-22-12-8-18)23-19-9-13-26(14-10-19)16-17-5-3-2-4-6-17/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3
InChIKeyLCDVCTWVZFOALJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.56
Rot. Bonds5

About 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine

1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine (PubChem CID 75430820) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
PubChem CID75430820
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
SMILESCn1nc(-c2ccncc2)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N5/c1-25-21(15-20(24-25)18-7-11-22-12-8-18)23-19-9-13-26(14-10-19)16-17-5-3-2-4-6-17/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3
InChIKeyLCDVCTWVZFOALJ-UHFFFAOYSA-N
XLogP3.56
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-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-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230040
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798111
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 117086261
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 75516974
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine (CID 75430820) is 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine is Cn1nc(-c2ccncc2)cc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine?
The InChIKey is LCDVCTWVZFOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25-21(15-20(24-25)18-7-11-22-12-8-18)23-19-9-13-26(14-10-19)16-17-5-3-2-4-6-17/h2-8,11-12,15,19,23H,9-10,13-14,16H2,1H3.
What are the key properties of 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine?
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 75430820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).