(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C10H16N4O2 — CID 64524283

IUPAC(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)n[nH]2)CCCO1
InChIInChI=1S/C10H16N4O2/c1-7-6-14(3-2-4-16-7)10(15)8-5-9(11)13-12-8/h5,7H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyPWKPOGHDUYZNFQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.24
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 64524283) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID64524283
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)n[nH]2)CCCO1
InChIInChI=1S/C10H16N4O2/c1-7-6-14(3-2-4-16-7)10(15)8-5-9(11)13-12-8/h5,7H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyPWKPOGHDUYZNFQ-UHFFFAOYSA-N
XLogP0.24
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 64524283) is (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cc(N)n[nH]2)CCCO1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is PWKPOGHDUYZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-14(3-2-4-16-7)10(15)8-5-9(11)13-12-8/h5,7H,2-4,6H2,1H3,(H3,11,12,13).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 64524283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).