(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone

C12H19N3O — CID 122171286

IUPAC(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
SMILESCn1nc(N)cc1C(=O)C1CCCCCC1
InChIInChI=1S/C12H19N3O/c1-15-10(8-11(13)14-15)12(16)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyDJWDCVBEQQJIJK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds2

About (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone

(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone (PubChem CID 122171286) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
PubChem CID122171286
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
SMILESCn1nc(N)cc1C(=O)C1CCCCCC1
InChIInChI=1S/C12H19N3O/c1-15-10(8-11(13)14-15)12(16)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyDJWDCVBEQQJIJK-UHFFFAOYSA-N
XLogP2.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone?
The IUPAC name of (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone (CID 122171286) is (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone.
What is the SMILES notation for (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone?
The canonical SMILES for (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone is Cn1nc(N)cc1C(=O)C1CCCCCC1.
What is the InChIKey of (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone?
The InChIKey is DJWDCVBEQQJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-10(8-11(13)14-15)12(16)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone?
(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone has a molecular weight of 221.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone is sourced from PubChem (CID 122171286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).