N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

C22H19F2N5O — CID 166234038

IUPACN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1nccn1-c1ccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)cc1F
InChIInChI=1S/C22H19F2N5O/c1-13(15-7-8-20(19(24)11-15)29-10-9-25-14(29)2)27-22(30)17-12-26-28-21(17)16-5-3-4-6-18(16)23/h3-13H,1-2H3,(H,26,28)(H,27,30)
InChIKeyPKJUQRFQVWLSSW-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.34
Rot. Bonds5

About N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 166234038) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID166234038
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC NameN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1nccn1-c1ccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)cc1F
InChIInChI=1S/C22H19F2N5O/c1-13(15-7-8-20(19(24)11-15)29-10-9-25-14(29)2)27-22(30)17-12-26-28-21(17)16-5-3-4-6-18(16)23/h3-13H,1-2H3,(H,26,28)(H,27,30)
InChIKeyPKJUQRFQVWLSSW-UHFFFAOYSA-N
XLogP4.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[2-[[(1R)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]sulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 166234038) is N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is Cc1nccn1-c1ccc(C(C)NC(=O)c2cn[nH]c2-c2ccccc2F)cc1F.
What is the InChIKey of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PKJUQRFQVWLSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-13(15-7-8-20(19(24)11-15)29-10-9-25-14(29)2)27-22(30)17-12-26-28-21(17)16-5-3-4-6-18(16)23/h3-13H,1-2H3,(H,26,28)(H,27,30).
What are the key properties of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166234038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).