(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone

C10H16N4O — CID 64524793

IUPAC(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCCCC2)[nH]n1
InChIInChI=1S/C10H16N4O/c11-9-7-8(12-13-9)10(15)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13)
InChIKeyUYKZOXIMYWWCLI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone (PubChem CID 64524793) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone
PubChem CID64524793
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCCCC2)[nH]n1
InChIInChI=1S/C10H16N4O/c11-9-7-8(12-13-9)10(15)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13)
InChIKeyUYKZOXIMYWWCLI-UHFFFAOYSA-N
XLogP1.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 209
CID 132070225
5-amino-N-methyl-1H-pyrazole-3-carboxamide
CID 51072191
3-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 64523621
1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-N,N-dimethylazepan-4-amine
CID 77086875
(1S*,5R*)-3-[(5-amino-1H-pyrazol-3-yl)carbonyl]-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133119748
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523289
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523479
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64523675
(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 64524048
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524050
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 64524060
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524446

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone (CID 64524793) is (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone is Nc1cc(C(=O)N2CCCCCC2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone?
The InChIKey is UYKZOXIMYWWCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-7-8(12-13-9)10(15)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 64524793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).