N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

C19H22N4O2 — CID 120885072

IUPACN-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CCN)CCc3ccccc3)n[nH]2)o1
InChIInChI=1S/C19H22N4O2/c1-14-7-8-18(25-14)16-13-17(22-21-16)19(24)23(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3,(H,21,22)
InChIKeyBTJIDTBDJXMBGG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.62
Rot. Bonds7

About N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 120885072) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID120885072
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CCN)CCc3ccccc3)n[nH]2)o1
InChIInChI=1S/C19H22N4O2/c1-14-7-8-18(25-14)16-13-17(22-21-16)19(24)23(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3,(H,21,22)
InChIKeyBTJIDTBDJXMBGG-UHFFFAOYSA-N
XLogP2.62
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829125
N-(2-aminoethyl)-5-cyclopropyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120884921
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120885918
N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828742
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-[(2-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828721
N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829085
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
CID 120886743
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (CID 120885072) is N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(CCN)CCc3ccccc3)n[nH]2)o1.
What is the InChIKey of N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BTJIDTBDJXMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-7-8-18(25-14)16-13-17(22-21-16)19(24)23(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3,(H,21,22).
What are the key properties of N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 120885072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).