N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

C24H25N5O2 — CID 42601306

IUPACN-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCC2CC2)n(CC2CC(c3cccnc3)=NO2)n1
InChIInChI=1S/C24H25N5O2/c1-16-5-2-3-7-20(16)22-12-23(24(30)26-13-17-8-9-17)29(27-22)15-19-11-21(28-31-19)18-6-4-10-25-14-18/h2-7,10,12,14,17,19H,8-9,11,13,15H2,1H3,(H,26,30)
InChIKeyMXXPBHVWTCAZMV-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.59
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 42601306) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID42601306
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCC2CC2)n(CC2CC(c3cccnc3)=NO2)n1
InChIInChI=1S/C24H25N5O2/c1-16-5-2-3-7-20(16)22-12-23(24(30)26-13-17-8-9-17)29(27-22)15-19-11-21(28-31-19)18-6-4-10-25-14-18/h2-7,10,12,14,17,19H,8-9,11,13,15H2,1H3,(H,26,30)
InChIKeyMXXPBHVWTCAZMV-UHFFFAOYSA-N
XLogP3.59
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (CID 42601306) is N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is Cc1ccccc1-c1cc(C(=O)NCC2CC2)n(CC2CC(c3cccnc3)=NO2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is MXXPBHVWTCAZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-5-2-3-7-20(16)22-12-23(24(30)26-13-17-8-9-17)29(27-22)15-19-11-21(28-31-19)18-6-4-10-25-14-18/h2-7,10,12,14,17,19H,8-9,11,13,15H2,1H3,(H,26,30).
What are the key properties of N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42601306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).