N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

C20H22N4O2 — CID 24980474

IUPACN-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCC2CC2)on1
InChIInChI=1S/C20H22N4O2/c1-2-16-10-17(26-23-16)13-24-19(20(25)21-12-14-8-9-14)11-18(22-24)15-6-4-3-5-7-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,21,25)
InChIKeyDAXOTUYQQIBFGA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.29
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide

N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 24980474) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID24980474
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCC2CC2)on1
InChIInChI=1S/C20H22N4O2/c1-2-16-10-17(26-23-16)13-24-19(20(25)21-12-14-8-9-14)11-18(22-24)15-6-4-3-5-7-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,21,25)
InChIKeyDAXOTUYQQIBFGA-UHFFFAOYSA-N
XLogP3.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide (CID 24980474) is N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCC2CC2)on1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is DAXOTUYQQIBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-16-10-17(26-23-16)13-24-19(20(25)21-12-14-8-9-14)11-18(22-24)15-6-4-3-5-7-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide?
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24980474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).