3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

C18H25N5O2 — CID 71878621

IUPAC3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)n1cc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-14(2)23-13-15(11-20-23)12-21-7-4-8-22(10-9-21)18(25)16-5-3-6-19-17(16)24/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,19,24)
InChIKeyPMPQDTFULUROHP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.50
Rot. Bonds4

About 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (PubChem CID 71878621) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
PubChem CID71878621
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)n1cc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-14(2)23-13-15(11-20-23)12-21-7-4-8-22(10-9-21)18(25)16-5-3-6-19-17(16)24/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,19,24)
InChIKeyPMPQDTFULUROHP-UHFFFAOYSA-N
XLogP1.50
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47214951
1-Methyl-4-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 53570676
4-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 56802277
6-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 72047283
6-methyl-2-oxo-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 72049343
6-methyl-2-oxo-N-(3-pyrazol-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 72049372
1-methyl-N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 75461476
6-ethyl-N,1,5-trimethyl-2-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-1,2-dihydropyridine-3-carboxamide
CID 77091362
1-ethyl-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77093642
5-Bromo-1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyridin-2-one
CID 138018622
6-ethyl-N,5-dimethyl-2-oxo-N-(2-pyrazol-1-ylethyl)-1H-pyridine-3-carboxamide
CID 138026106
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 31851197

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (CID 71878621) is 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is CC(C)n1cc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1.
What is the InChIKey of 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PMPQDTFULUROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(2)23-13-15(11-20-23)12-21-7-4-8-22(10-9-21)18(25)16-5-3-6-19-17(16)24/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,19,24).
What are the key properties of 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 71878621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).