N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C20H23ClN4O2 — CID 119615448

IUPACN-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(CN)C2CC2)o1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-13-7-10-18(26-13)19-16(20(25)22-17(11-21)14-8-9-14)12-24(23-19)15-5-3-2-4-6-15;/h2-7,10,12,14,17H,8-9,11,21H2,1H3,(H,22,25);1H
InChIKeyDEIGXCFOONYRKP-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.33
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119615448) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119615448
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(CN)C2CC2)o1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-13-7-10-18(26-13)19-16(20(25)22-17(11-21)14-8-9-14)12-24(23-19)15-5-3-2-4-6-15;/h2-7,10,12,14,17H,8-9,11,21H2,1H3,(H,22,25);1H
InChIKeyDEIGXCFOONYRKP-UHFFFAOYSA-N
XLogP3.33
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331
N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119617801
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
CID 119590571
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119615448) is N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(CN)C2CC2)o1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is DEIGXCFOONYRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-13-7-10-18(26-13)19-16(20(25)22-17(11-21)14-8-9-14)12-24(23-19)15-5-3-2-4-6-15;/h2-7,10,12,14,17H,8-9,11,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119615448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).