N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C21H19FN4O2 — CID 24682859

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O2/c22-16-7-5-14(6-8-16)19-18(12-24-26-19)21(28)23-11-13-1-9-17(10-2-13)25-20(27)15-3-4-15/h1-2,5-10,12,15H,3-4,11H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyHYLDUDKFSKWQDE-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.49
Rot. Bonds6

About N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 24682859) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID24682859
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN4O2/c22-16-7-5-14(6-8-16)19-18(12-24-26-19)21(28)23-11-13-1-9-17(10-2-13)25-20(27)15-3-4-15/h1-2,5-10,12,15H,3-4,11H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyHYLDUDKFSKWQDE-UHFFFAOYSA-N
XLogP3.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 24682859) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HYLDUDKFSKWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-7-5-14(6-8-16)19-18(12-24-26-19)21(28)23-11-13-1-9-17(10-2-13)25-20(27)15-3-4-15/h1-2,5-10,12,15H,3-4,11H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24682859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).