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

C21H24N4O2 — CID 19508699

IUPACN-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)17-10-8-16(9-11-17)22-21(26)20-14-19(23-24-20)15-6-12-18(27-3)13-7-15/h6-14H,4-5H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyHCNCRJQKEZNWHP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.18
Rot. Bonds7

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

N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508699) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508699
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)17-10-8-16(9-11-17)22-21(26)20-14-19(23-24-20)15-6-12-18(27-3)13-7-15/h6-14H,4-5H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyHCNCRJQKEZNWHP-UHFFFAOYSA-N
XLogP4.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 5450584

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508699) is N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HCNCRJQKEZNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25(5-2)17-10-8-16(9-11-17)22-21(26)20-14-19(23-24-20)15-6-12-18(27-3)13-7-15/h6-14H,4-5H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).