2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide

C13H20N4O2 — CID 110196432

IUPAC2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC(=O)N2)n(C)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(17(2)16-9)13(19)14-8-10-5-3-4-6-12(18)15-10/h7,10H,3-6,8H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyRYJULWWIIFLDNW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.52
Rot. Bonds3

About 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110196432) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID110196432
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC(=O)N2)n(C)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(17(2)16-9)13(19)14-8-10-5-3-4-6-12(18)15-10/h7,10H,3-6,8H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyRYJULWWIIFLDNW-UHFFFAOYSA-N
XLogP0.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

LmCPB-IN-1
CID 145974244
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-1H-pyrazole-3-carboxamide
CID 25279471
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
2-(3,5-dimethylpyrazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45818825

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (CID 110196432) is 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCCC(=O)N2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is RYJULWWIIFLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-11(17(2)16-9)13(19)14-8-10-5-3-4-6-12(18)15-10/h7,10H,3-6,8H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110196432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).