2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide

C14H23N5O2 — CID 62040951

IUPAC2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H23N5O2/c1-11-12(10-17-18-11)4-2-6-16-13(20)14(21)19-8-3-5-15-7-9-19/h10,15H,2-9H2,1H3,(H,16,20)(H,17,18)
InChIKeyQQMMESRXDMYREK-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.41
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide (PubChem CID 62040951) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide
PubChem CID62040951
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H23N5O2/c1-11-12(10-17-18-11)4-2-6-16-13(20)14(21)19-8-3-5-15-7-9-19/h10,15H,2-9H2,1H3,(H,16,20)(H,17,18)
InChIKeyQQMMESRXDMYREK-UHFFFAOYSA-N
XLogP-0.41
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 63142468
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 114084882
(3S)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95134206
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
CID 62039653
1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
2-(1,4-diazepan-1-yl)-N-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 43543988

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide (CID 62040951) is 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide is Cc1[nH]ncc1CCCNC(=O)C(=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide?
The InChIKey is QQMMESRXDMYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-12(10-17-18-11)4-2-6-16-13(20)14(21)19-8-3-5-15-7-9-19/h10,15H,2-9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide has a molecular weight of 293.37 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-oxoacetamide is sourced from PubChem (CID 62040951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).