4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide

C14H17ClN4O — CID 17026834

IUPAC4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2[nH]ncc2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-3-19(4-2)11-7-5-10(6-8-11)17-14(20)13-12(15)9-16-18-13/h5-9H,3-4H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyNIIAHPUTUFUKOQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.16
Rot. Bonds5

About 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 17026834) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID17026834
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2[nH]ncc2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-3-19(4-2)11-7-5-10(6-8-11)17-14(20)13-12(15)9-16-18-13/h5-9H,3-4H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyNIIAHPUTUFUKOQ-UHFFFAOYSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19579274
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702097
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide (CID 17026834) is 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2[nH]ncc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NIIAHPUTUFUKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-19(4-2)11-7-5-10(6-8-11)17-14(20)13-12(15)9-16-18-13/h5-9H,3-4H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17026834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).