N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide

C13H14ClN5O2 — CID 155951273

IUPACN-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C13H14ClN5O2/c14-10-4-2-1-3-8(10)11-9(7-18-19-11)12(20)16-5-6-17-13(15)21/h1-4,7H,5-6H2,(H,16,20)(H,18,19)(H3,15,17,21)
InChIKeyZVEUZCRZODXCJY-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.13
Rot. Bonds5

About N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide

N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 155951273) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID155951273
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C13H14ClN5O2/c14-10-4-2-1-3-8(10)11-9(7-18-19-11)12(20)16-5-6-17-13(15)21/h1-4,7H,5-6H2,(H,16,20)(H,18,19)(H3,15,17,21)
InChIKeyZVEUZCRZODXCJY-UHFFFAOYSA-N
XLogP1.13
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599794
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
CID 155946974
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide (CID 155951273) is N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide is NC(=O)NCCNC(=O)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZVEUZCRZODXCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-10-4-2-1-3-8(10)11-9(7-18-19-11)12(20)16-5-6-17-13(15)21/h1-4,7H,5-6H2,(H,16,20)(H,18,19)(H3,15,17,21).
What are the key properties of N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide?
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155951273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).