3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C23H25ClN6O2 — CID 23630810

IUPAC3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-18(19)22(31)27-21-15-20(28-29-21)23(32)26-12-5-16-8-13-30(14-9-16)17-6-10-25-11-7-17/h1-4,6-7,10-11,15-16H,5,8-9,12-14H2,(H,26,32)(H2,27,28,29,31)
InChIKeyPVZCAMQXLYHGIF-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.75
Rot. Bonds7

About 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 23630810) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID23630810
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-18(19)22(31)27-21-15-20(28-29-21)23(32)26-12-5-16-8-13-30(14-9-16)17-6-10-25-11-7-17/h1-4,6-7,10-11,15-16H,5,8-9,12-14H2,(H,26,32)(H2,27,28,29,31)
InChIKeyPVZCAMQXLYHGIF-UHFFFAOYSA-N
XLogP3.75
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 23630810) is 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCC1CCN(c2ccncc2)CC1)c1cc(NC(=O)c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PVZCAMQXLYHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-18(19)22(31)27-21-15-20(28-29-21)23(32)26-12-5-16-8-13-30(14-9-16)17-6-10-25-11-7-17/h1-4,6-7,10-11,15-16H,5,8-9,12-14H2,(H,26,32)(H2,27,28,29,31).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23630810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).