N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

C25H26N4O3 — CID 24980477

IUPACN-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C2=NOC(Cn3nc(C(=O)NCC4CC4)cc3-c3ccccc3)C2)cc1
InChIInChI=1S/C25H26N4O3/c1-31-20-11-9-18(10-12-20)22-13-21(32-28-22)16-29-24(19-5-3-2-4-6-19)14-23(27-29)25(30)26-15-17-7-8-17/h2-6,9-12,14,17,21H,7-8,13,15-16H2,1H3,(H,26,30)
InChIKeyAPOZXXOHDOVDDH-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.89
Rot. Bonds8

About N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24980477) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24980477
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C2=NOC(Cn3nc(C(=O)NCC4CC4)cc3-c3ccccc3)C2)cc1
InChIInChI=1S/C25H26N4O3/c1-31-20-11-9-18(10-12-20)22-13-21(32-28-22)16-29-24(19-5-3-2-4-6-19)14-23(27-29)25(30)26-15-17-7-8-17/h2-6,9-12,14,17,21H,7-8,13,15-16H2,1H3,(H,26,30)
InChIKeyAPOZXXOHDOVDDH-UHFFFAOYSA-N
XLogP3.89
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (CID 24980477) is N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is COc1ccc(C2=NOC(Cn3nc(C(=O)NCC4CC4)cc3-c3ccccc3)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is APOZXXOHDOVDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-20-11-9-18(10-12-20)22-13-21(32-28-22)16-29-24(19-5-3-2-4-6-19)14-23(27-29)25(30)26-15-17-7-8-17/h2-6,9-12,14,17,21H,7-8,13,15-16H2,1H3,(H,26,30).
What are the key properties of N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).