N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C14H16FN3O — CID 39977902

IUPACN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyBLQNKKDADHAHSQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.70
Rot. Bonds4

About N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 39977902) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID39977902
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyBLQNKKDADHAHSQ-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 39977902) is N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is CCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BLQNKKDADHAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 39977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).