N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide

C12H13N3O2 — CID 30859093

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide
SMILESCn1nc2c(c1NC(=O)c1ccco1)CCC2
InChIInChI=1S/C12H13N3O2/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16)
InChIKeyTYBHGPGRVQAPGU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.75
Rot. Bonds2

About N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 30859093) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID30859093
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide
SMILESCn1nc2c(c1NC(=O)c1ccco1)CCC2
InChIInChI=1S/C12H13N3O2/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16)
InChIKeyTYBHGPGRVQAPGU-UHFFFAOYSA-N
XLogP1.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(2-furoylamino)-5-methyl-1H-pyrazol-1-yl]butanoate
CID 5303481
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809605
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
CID 54582956
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 756305
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809604
N-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2809607
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 135753132
N-(2-tert-butyl-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-2-furamide
CID 3235964
N-(1-methyl-1H-indazol-3-yl)furan-2-carboxamide
CID 70680254

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide (CID 30859093) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide is Cn1nc2c(c1NC(=O)c1ccco1)CCC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is TYBHGPGRVQAPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(8-4-2-5-9(8)14-15)13-12(16)10-6-3-7-17-10/h3,6-7H,2,4-5H2,1H3,(H,13,16).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 30859093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).