N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

C16H20Cl2N4O — CID 119573258

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CC1.Cl
InChIInChI=1S/C16H19ClN4O.ClH/c1-16(9-18,10-6-7-10)19-15(22)14-8-13(20-21-14)11-4-2-3-5-12(11)17;/h2-5,8,10H,6-7,9,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyCOEFWUSNUYUSLG-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.01
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119573258) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119573258
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CC1.Cl
InChIInChI=1S/C16H19ClN4O.ClH/c1-16(9-18,10-6-7-10)19-15(22)14-8-13(20-21-14)11-4-2-3-5-12(11)17;/h2-5,8,10H,6-7,9,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyCOEFWUSNUYUSLG-UHFFFAOYSA-N
XLogP3.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
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3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119573258) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is CC(CN)(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is COEFWUSNUYUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c1-16(9-18,10-6-7-10)19-15(22)14-8-13(20-21-14)11-4-2-3-5-12(11)17;/h2-5,8,10H,6-7,9,18H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119573258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).