N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C15H14F2N4O2 — CID 24971318

IUPACN-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyVZNOTQXWDLWJSQ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.08
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971318) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971318
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC NameN-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyVZNOTQXWDLWJSQ-UHFFFAOYSA-N
XLogP2.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 24971318) is N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(NCC1CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is VZNOTQXWDLWJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).