N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H15N3O — CID 110388880

IUPACN-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCC2)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(10-6-3-2-4-7-10)14(18)13-11-8-5-9-12(11)15-16-13/h2-4,6-7H,5,8-9H2,1H3,(H,15,16)
InChIKeyCHYPUVPIJKISBV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.17
Rot. Bonds2

About N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388880) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388880
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCC2)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(10-6-3-2-4-7-10)14(18)13-11-8-5-9-12(11)15-16-13/h2-4,6-7H,5,8-9H2,1H3,(H,15,16)
InChIKeyCHYPUVPIJKISBV-UHFFFAOYSA-N
XLogP2.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079103
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-methyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 96561845
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99930130
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164628411
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110026262
N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46999123
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388880) is N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C(=O)c1n[nH]c2c1CCC2)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is CHYPUVPIJKISBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(10-6-3-2-4-7-10)14(18)13-11-8-5-9-12(11)15-16-13/h2-4,6-7H,5,8-9H2,1H3,(H,15,16).
What are the key properties of N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).