4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

C16H17ClFN5O2 — CID 24971323

IUPAC4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHPCOUXPDYAOAFD-UHFFFAOYSA-N
MW365.80 g/mol
LogP1.94
Rot. Bonds4

About 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 24971323) has the molecular formula C16H17ClFN5O2 and a molecular weight of 365.80 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID24971323
Molecular FormulaC16H17ClFN5O2
Molecular Weight365.80 g/mol
Exact Mass365.11
IUPAC Name4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyHPCOUXPDYAOAFD-UHFFFAOYSA-N
XLogP1.94
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 24971323) is 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HPCOUXPDYAOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 365.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).