N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

C15H14ClN5O — CID 72913584

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H14ClN5O/c16-12-8-19-21(10-12)7-6-17-15(22)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,20)
InChIKeyCURPNWDGWMGUJU-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 72913584) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID72913584
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H14ClN5O/c16-12-8-19-21(10-12)7-6-17-15(22)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,20)
InChIKeyCURPNWDGWMGUJU-UHFFFAOYSA-N
XLogP2.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19283381
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72882328
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 72913584) is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCCn1cc(Cl)cn1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is CURPNWDGWMGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-12-8-19-21(10-12)7-6-17-15(22)13-9-18-20-14(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,22)(H,18,20).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).