N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

C19H21N7O — CID 47001582

IUPACN-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1
InChIInChI=1S/C19H21N7O/c1-15-3-5-16(6-4-15)23-19(27)25-11-9-24(10-12-25)17-13-18(21-14-20-17)26-8-2-7-22-26/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyRRYCVRJWFBWYGE-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.32
Rot. Bonds3

About N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 47001582) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID47001582
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1
InChIInChI=1S/C19H21N7O/c1-15-3-5-16(6-4-15)23-19(27)25-11-9-24(10-12-25)17-13-18(21-14-20-17)26-8-2-7-22-26/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyRRYCVRJWFBWYGE-UHFFFAOYSA-N
XLogP2.32
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide 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-(3-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50946576
N-[3-(difluoromethoxy)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122337180
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341861
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
2-(3-methylphenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337223
N-(4-methylphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342274
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337262
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 47001582) is N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is RRYCVRJWFBWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-15-3-5-16(6-4-15)23-19(27)25-11-9-24(10-12-25)17-13-18(21-14-20-17)26-8-2-7-22-26/h2-8,13-14H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47001582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).