N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide

C15H21N3O2 — CID 22434258

IUPACN-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C2=CCCCC2)c(C)nn1C
InChIInChI=1S/C15H21N3O2/c1-10-14(13-8-6-5-7-9-13)15(17(4)16-10)18(11(2)19)12(3)20/h8H,5-7,9H2,1-4H3
InChIKeyQGVCINFJXPNXOT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.59
Rot. Bonds2

About N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide

N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide (PubChem CID 22434258) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide
PubChem CID22434258
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C2=CCCCC2)c(C)nn1C
InChIInChI=1S/C15H21N3O2/c1-10-14(13-8-6-5-7-9-13)15(17(4)16-10)18(11(2)19)12(3)20/h8H,5-7,9H2,1-4H3
InChIKeyQGVCINFJXPNXOT-UHFFFAOYSA-N
XLogP2.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
3,4-dimethyl-1-pentyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135406013
7-Benzyl-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 16027152
1,3-dimethyl-4-(pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135645637
Zolazepam Impurity 2
CID 12393561
1,3,8-trimethyl-4-phenyl-6H-pyrazolo[5,4-e][1,4]diazepin-7-one;hydrochloride
CID 12393562
3-ethyl-1,8-dimethyl-4-phenyl-6,8-dihydropyrazolo[3,4-e][1,4]diazepin-7(1H)-one
CID 12393585
1,3,8-trimethyl-5-oxido-4-phenyl-6H-pyrazolo[5,4-e][1,4]diazepin-5-ium-7-one
CID 12393610
N,N-diethyl-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026223
3-cyclopropyl-4-(difluoromethyl)-1-methyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135645638
N-[4-cyclobutyl-3-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-1-methylpyrazol-5-yl]acetamide
CID 170134385
3-cyclopropyl-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562169

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide (CID 22434258) is N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide is CC(=O)N(C(C)=O)c1c(C2=CCCCC2)c(C)nn1C.
What is the InChIKey of N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide?
The InChIKey is QGVCINFJXPNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-14(13-8-6-5-7-9-13)15(17(4)16-10)18(11(2)19)12(3)20/h8H,5-7,9H2,1-4H3.
What are the key properties of N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide?
N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]acetamide is sourced from PubChem (CID 22434258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).