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

C13H20N4O2 — CID 91920116

IUPAC1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18)
InChIKeyDARRQAUDGOMYDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds4

About 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide

1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91920116) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID91920116
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18)
InChIKeyDARRQAUDGOMYDC-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
1,3-Dimethyl-N-[(7-oxoazepan-2-YL)methyl]-1H-pyrazole-5-carboxamide
CID 110196432
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide hydrochloride
CID 86775453
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide dihydrochloride
CID 86775551
N-cyclopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 19475563

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (CID 91920116) is 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1.
What is the InChIKey of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DARRQAUDGOMYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18).
What are the key properties of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).