N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride

C17H23ClN4O — CID 120884921

IUPACN-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H22N4O.ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)16-12-15(19-20-16)14-6-7-14;/h1-5,12,14H,6-11,18H2,(H,19,20);1H
InChIKeyYDWJFTIYLBECGB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.35
Rot. Bonds7

About N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride

N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120884921) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120884921
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H22N4O.ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)16-12-15(19-20-16)14-6-7-14;/h1-5,12,14H,6-11,18H2,(H,19,20);1H
InChIKeyYDWJFTIYLBECGB-UHFFFAOYSA-N
XLogP2.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
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N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
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5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
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3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)-1H-indazole-7-carboxamide;hydrochloride
CID 120885435
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 120884921) is N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is YDWJFTIYLBECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c18-9-11-21(10-8-13-4-2-1-3-5-13)17(22)16-12-15(19-20-16)14-6-7-14;/h1-5,12,14H,6-11,18H2,(H,19,20);1H.
What are the key properties of N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120884921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).