5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride

C15H20Cl2N4O — CID 120652144

IUPAC5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cn[nH]c1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-3-17-10(2)8-18-15(21)13-9-19-20-14(13)11-5-4-6-12(16)7-11;/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1
InChIKeyJLSRCCYVLGZEBQ-HNCPQSOCSA-N
MW343.26 g/mol
LogP2.88
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride

5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 120652144) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID120652144
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cn[nH]c1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-3-17-10(2)8-18-15(21)13-9-19-20-14(13)11-5-4-6-12(16)7-11;/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1
InChIKeyJLSRCCYVLGZEBQ-HNCPQSOCSA-N
XLogP2.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
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CID 75425510
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
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5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
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N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride (CID 120652144) is 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cn[nH]c1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is JLSRCCYVLGZEBQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H19ClN4O.ClH/c1-3-17-10(2)8-18-15(21)13-9-19-20-14(13)11-5-4-6-12(16)7-11;/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,21)(H,19,20);1H/t10-;/m1./s1.
What are the key properties of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride?
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120652144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).