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

C18H25ClN4O — CID 120886743

IUPACN-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)cc1C1CC1
InChIInChI=1S/C18H24N4O.ClH/c1-21-17(15-7-8-15)13-16(20-21)18(23)22(12-10-19)11-9-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,19H2,1H3;1H
InChIKeyXPOTVDQDMAQSCQ-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.36
Rot. Bonds7

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

N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 120886743) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID120886743
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)cc1C1CC1
InChIInChI=1S/C18H24N4O.ClH/c1-21-17(15-7-8-15)13-16(20-21)18(23)22(12-10-19)11-9-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,19H2,1H3;1H
InChIKeyXPOTVDQDMAQSCQ-UHFFFAOYSA-N
XLogP2.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120884921
N-(2-aminoethyl)-2-cyclopropyl-N-(2-phenylethyl)-1H-imidazole-5-carboxamide;dihydrochloride
CID 120886699
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride
CID 120884289
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 120885992
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 120885038
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride (CID 120886743) is N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C(=O)N(CCN)CCc2ccccc2)cc1C1CC1.
What is the InChIKey of N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is XPOTVDQDMAQSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-21-17(15-7-8-15)13-16(20-21)18(23)22(12-10-19)11-9-14-5-3-2-4-6-14;/h2-6,13,15H,7-12,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120886743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).