(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone

C16H15N3O2 — CID 1263280

IUPAC(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1nn(C(=O)c2ccoc2C)c(N)c1-c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-14(12-6-4-3-5-7-12)15(17)19(18-10)16(20)13-8-9-21-11(13)2/h3-9H,17H2,1-2H3
InChIKeyKHPWGHHPJJHDBL-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds2

About (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone

(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 1263280) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID1263280
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1nn(C(=O)c2ccoc2C)c(N)c1-c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-14(12-6-4-3-5-7-12)15(17)19(18-10)16(20)13-8-9-21-11(13)2/h3-9H,17H2,1-2H3
InChIKeyKHPWGHHPJJHDBL-UHFFFAOYSA-N
XLogP3.03
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
CID 695657
N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
CID 2811734
2,5-dimethyl-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]furan-3-carboxamide
CID 136036414
[4-(2-Furyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
CID 376878
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335371
2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335580
N-(5-ethyl-1-phenylpyrazol-3-yl)furan-3-carboxamide
CID 46106914
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl](2-methyl(3-furyl))carboxamide
CID 24208113
N-[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]furan-3-carboxamide
CID 56795078
N-[N'-tert-butyl-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-2,5-dimethylfuran-3-carboxamide
CID 123442750
[5-[Benzyl(methyl)amino]-4-methyl-3-[1-(morpholine-4-carbonyl)-2-(trifluoromethyl)piperidin-3-yl]pyrazol-1-yl]-(2-methylfuran-3-yl)methanone
CID 135305898
[5-[[4-(Aminomethyl)phenyl]methyl-methylamino]-4-fluoro-3-(oxan-4-yl)pyrazol-1-yl]-(5-methylfuran-3-yl)methanone
CID 135306022

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone (CID 1263280) is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone is Cc1nn(C(=O)c2ccoc2C)c(N)c1-c1ccccc1.
What is the InChIKey of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is KHPWGHHPJJHDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-14(12-6-4-3-5-7-12)15(17)19(18-10)16(20)13-8-9-21-11(13)2/h3-9H,17H2,1-2H3.
What are the key properties of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone?
(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 281.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 1263280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).