(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone

C11H18N4O — CID 64523512

IUPAC(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H18N4O/c1-8-5-3-2-4-6-15(8)11(16)9-7-10(12)14-13-9/h7-8H,2-6H2,1H3,(H3,12,13,14)
InChIKeyUQOUGCUTJIONEM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone (PubChem CID 64523512) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone
PubChem CID64523512
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H18N4O/c1-8-5-3-2-4-6-15(8)11(16)9-7-10(12)14-13-9/h7-8H,2-6H2,1H3,(H3,12,13,14)
InChIKeyUQOUGCUTJIONEM-UHFFFAOYSA-N
XLogP1.40
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone (CID 64523512) is (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)c1cc(N)n[nH]1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone?
The InChIKey is UQOUGCUTJIONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-3-2-4-6-15(8)11(16)9-7-10(12)14-13-9/h7-8H,2-6H2,1H3,(H3,12,13,14).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(2-methylazepan-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.40, 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)-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 64523512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).