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

C17H20FN5O3 — CID 11210632

IUPAC4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChIInChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNPPBDFFMJNUJRY-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.29
Rot. Bonds5

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

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 11210632) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID11210632
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChIInChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNPPBDFFMJNUJRY-UHFFFAOYSA-N
XLogP1.29
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 11210632) is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1.
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is NPPBDFFMJNUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).