4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide

C14H17ClN4O — CID 62081467

IUPAC4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)c2ccccc2Cl)c1N
InChIInChI=1S/C14H17ClN4O/c1-3-11-12(16)13(19-18-11)14(20)17-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZXCLUEODTBYERP-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081467) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62081467
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)c2ccccc2Cl)c1N
InChIInChI=1S/C14H17ClN4O/c1-3-11-12(16)13(19-18-11)14(20)17-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZXCLUEODTBYERP-UHFFFAOYSA-N
XLogP2.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-N-[1-(furan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082159
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CID 62080944
4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 62841807
4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
4-amino-N-[1-(2-chlorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65357009
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
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2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 62081467) is 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)c2ccccc2Cl)c1N.
What is the InChIKey of 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZXCLUEODTBYERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-11-12(16)13(19-18-11)14(20)17-8(2)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).