4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide

C14H23N5O2 — CID 146129104

IUPAC4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)Nc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(2)19-8-5-13(16-19)15-14(21)18-7-4-6-17(9-10-18)12(3)20/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,15,16,21)
InChIKeyOXRAYHNEECXFPS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.55
Rot. Bonds2

About 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide

4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide (PubChem CID 146129104) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
PubChem CID146129104
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)Nc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(2)19-8-5-13(16-19)15-14(21)18-7-4-6-17(9-10-18)12(3)20/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,15,16,21)
InChIKeyOXRAYHNEECXFPS-UHFFFAOYSA-N
XLogP1.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
CID 146138024
methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
CID 129359157
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
(3S)-N-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]-3-methylsulfanylazepane-1-carboxamide
CID 124621844
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 122139751

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide (CID 146129104) is 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide is CC(=O)N1CCCN(C(=O)Nc2ccn(C(C)C)n2)CC1.
What is the InChIKey of 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is OXRAYHNEECXFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(2)19-8-5-13(16-19)15-14(21)18-7-4-6-17(9-10-18)12(3)20/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,15,16,21).
What are the key properties of 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide?
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 146129104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).