N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

C15H17N3O2 — CID 78957455

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2ccn(-c3ccccc3)n2)COC1
InChIInChI=1S/C15H17N3O2/c1-15(10-20-11-15)9-16-14(19)13-7-8-18(17-13)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19)
InChIKeyIQRVOAXIWDWUPP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 78957455) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID78957455
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2ccn(-c3ccccc3)n2)COC1
InChIInChI=1S/C15H17N3O2/c1-15(10-20-11-15)9-16-14(19)13-7-8-18(17-13)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19)
InChIKeyIQRVOAXIWDWUPP-UHFFFAOYSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (CID 78957455) is N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is CC1(CNC(=O)c2ccn(-c3ccccc3)n2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is IQRVOAXIWDWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(10-20-11-15)9-16-14(19)13-7-8-18(17-13)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,16,19).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 78957455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).