4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one

C18H25N5O2 — CID 56802277

IUPAC4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCCn1cc(CN2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-3-23-14-15(12-19-23)13-21-6-4-7-22(10-9-21)18(25)16-5-8-20(2)17(24)11-16/h5,8,11-12,14H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyRYGNBBUJZLUUJF-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.95
Rot. Bonds4

About 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one

4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 56802277) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
PubChem CID56802277
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCCn1cc(CN2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-3-23-14-15(12-19-23)13-21-6-4-7-22(10-9-21)18(25)16-5-8-20(2)17(24)11-16/h5,8,11-12,14H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyRYGNBBUJZLUUJF-UHFFFAOYSA-N
XLogP0.95
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 31845207
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31846147
1-Methyl-4-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 53570676
3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 71878621
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
CID 97390065
1-(Cyclopropylmethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390071
1-[2-(Dimethylamino)ethyl]-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466790
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45814898
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
6-oxo-N-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,6-dihydropyridine-3-carboxamide
CID 91761019
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53497858

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one (CID 56802277) is 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one is CCn1cc(CN2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1.
What is the InChIKey of 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is RYGNBBUJZLUUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-23-14-15(12-19-23)13-21-6-4-7-22(10-9-21)18(25)16-5-8-20(2)17(24)11-16/h5,8,11-12,14H,3-4,6-7,9-10,13H2,1-2H3.
What are the key properties of 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 56802277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).