N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide

C20H17F2N5O2 — CID 99625384

IUPACN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H17F2N5O2/c1-11-8-16(26-27(11)17-6-4-13(21)9-15(17)22)20(29)24-14-5-7-18(23-10-14)25-19(28)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyCSXKKSGJNMPAJL-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.45
Rot. Bonds5

About N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 99625384) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID99625384
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H17F2N5O2/c1-11-8-16(26-27(11)17-6-4-13(21)9-15(17)22)20(29)24-14-5-7-18(23-10-14)25-19(28)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyCSXKKSGJNMPAJL-UHFFFAOYSA-N
XLogP3.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 75470170
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99632374
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 75401232

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide (CID 99625384) is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)nn1-c1ccc(F)cc1F.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is CSXKKSGJNMPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-11-8-16(26-27(11)17-6-4-13(21)9-15(17)22)20(29)24-14-5-7-18(23-10-14)25-19(28)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,29)(H,23,25,28).
What are the key properties of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 99625384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).