2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide

C11H18N6O2 — CID 64523296

IUPAC2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c12-9-6-8(14-15-9)11(19)17-3-1-2-16(4-5-17)7-10(13)18/h6H,1-5,7H2,(H2,13,18)(H3,12,14,15)
InChIKeyRPBVEAPRLHKMEN-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.37
Rot. Bonds3

About 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 64523296) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID64523296
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H18N6O2/c12-9-6-8(14-15-9)11(19)17-3-1-2-16(4-5-17)7-10(13)18/h6H,1-5,7H2,(H2,13,18)(H3,12,14,15)
InChIKeyRPBVEAPRLHKMEN-UHFFFAOYSA-N
XLogP-1.37
TPSA121.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 64523096
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 46987862
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 64523295
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
2-(azetidin-1-yl)acetamide
CID 18923030
(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
2-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 47078406
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385
2-[4-(3-fluoro-4-pyrrolidin-1-ylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 56803327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 64523296) is 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is RPBVEAPRLHKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c12-9-6-8(14-15-9)11(19)17-3-1-2-16(4-5-17)7-10(13)18/h6H,1-5,7H2,(H2,13,18)(H3,12,14,15).
What are the key properties of 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 266.30 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 64523296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).