N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C17H26N4O2 — CID 46282411

IUPACN-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-12-16-20(10-5-11-21(16)19-13)17(23)9-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyVFYMBAUJHDYMLY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.16
Rot. Bonds4

About N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 46282411) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID46282411
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-12-16-20(10-5-11-21(16)19-13)17(23)9-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyVFYMBAUJHDYMLY-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71682928
3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135409934
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
Cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-1-yl]methanone
CID 136196595
1-{4-[(5S,7R)-2-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-5-YL]piperidin-1-YL}butan-1-one
CID 136760533
2-Methyl-1-{4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-5-YL]piperidin-1-YL}propan-1-one
CID 136760534
cyclopropyl-[4-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 136760535
2-Methyl-1-{3-[(5S,7R)-2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-5-YL]piperidin-1-YL}propan-1-one
CID 136760758
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 46282409
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 46282411) is N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is VFYMBAUJHDYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-12-16-20(10-5-11-21(16)19-13)17(23)9-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 318.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 46282411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).