N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide

C20H23N3O2 — CID 127875180

IUPACN-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cc(CC2CC2)nn1-c1ccccc1)C1CC12CCOC2
InChIInChI=1S/C20H23N3O2/c24-19(17-12-20(17)8-9-25-13-20)21-18-11-15(10-14-6-7-14)22-23(18)16-4-2-1-3-5-16/h1-5,11,14,17H,6-10,12-13H2,(H,21,24)
InChIKeySLNDEEUFMFYKBI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide

N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide (PubChem CID 127875180) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
PubChem CID127875180
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cc(CC2CC2)nn1-c1ccccc1)C1CC12CCOC2
InChIInChI=1S/C20H23N3O2/c24-19(17-12-20(17)8-9-25-13-20)21-18-11-15(10-14-6-7-14)22-23(18)16-4-2-1-3-5-16/h1-5,11,14,17H,6-10,12-13H2,(H,21,24)
InChIKeySLNDEEUFMFYKBI-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide (CID 127875180) is N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)C1CC12CCOC2.
What is the InChIKey of N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide?
The InChIKey is SLNDEEUFMFYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(17-12-20(17)8-9-25-13-20)21-18-11-15(10-14-6-7-14)22-23(18)16-4-2-1-3-5-16/h1-5,11,14,17H,6-10,12-13H2,(H,21,24).
What are the key properties of N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide?
N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 127875180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).