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

C12H18N4O2 — CID 110196430

IUPAC2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCCC(=O)N1
InChIInChI=1S/C12H18N4O2/c1-16-10(6-7-14-16)12(18)13-8-9-4-2-3-5-11(17)15-9/h6-7,9H,2-5,8H2,1H3,(H,13,18)(H,15,17)
InChIKeyGHJWDCDOMPQNDJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.21
Rot. Bonds3

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

2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110196430) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID110196430
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCCC(=O)N1
InChIInChI=1S/C12H18N4O2/c1-16-10(6-7-14-16)12(18)13-8-9-4-2-3-5-11(17)15-9/h6-7,9H,2-5,8H2,1H3,(H,13,18)(H,15,17)
InChIKeyGHJWDCDOMPQNDJ-UHFFFAOYSA-N
XLogP0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (CID 110196430) is 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCCCC(=O)N1.
What is the InChIKey of 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GHJWDCDOMPQNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-10(6-7-14-16)12(18)13-8-9-4-2-3-5-11(17)15-9/h6-7,9H,2-5,8H2,1H3,(H,13,18)(H,15,17).
What are the key properties of 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110196430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).