N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C18H26N4O — CID 55910471

IUPACN-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(CC(C)C)[nH]n2)cc1
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)16-9-7-14(8-10-16)19-18(23)17-12-15(20-21-17)11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyDFWVLRJCDJZGDU-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.71
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55910471) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55910471
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(CC(C)C)[nH]n2)cc1
InChIInChI=1S/C18H26N4O/c1-5-22(6-2)16-9-7-14(8-10-16)19-18(23)17-12-15(20-21-17)11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyDFWVLRJCDJZGDU-UHFFFAOYSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 55993733
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702097
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55910471) is N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(CC(C)C)[nH]n2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DFWVLRJCDJZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-22(6-2)16-9-7-14(8-10-16)19-18(23)17-12-15(20-21-17)11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55910471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).