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

C23H23N5O2 — CID 24747852

IUPACN-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H23N5O2/c29-23(25-13-16-8-9-16)22-12-20(17-5-2-1-3-6-17)26-28(22)15-19-11-21(27-30-19)18-7-4-10-24-14-18/h1-7,10,12,14,16,19H,8-9,11,13,15H2,(H,25,29)
InChIKeyUBYUNXLEBJEYNS-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.28
Rot. Bonds7

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

N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 24747852) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID24747852
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H23N5O2/c29-23(25-13-16-8-9-16)22-12-20(17-5-2-1-3-6-17)26-28(22)15-19-11-21(27-30-19)18-7-4-10-24-14-18/h1-7,10,12,14,16,19H,8-9,11,13,15H2,(H,25,29)
InChIKeyUBYUNXLEBJEYNS-UHFFFAOYSA-N
XLogP3.28
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (CID 24747852) is N-(cyclopropylmethyl)-3-phenyl-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-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is O=C(NCC1CC1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1.
What is the InChIKey of N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is UBYUNXLEBJEYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-23(25-13-16-8-9-16)22-12-20(17-5-2-1-3-6-17)26-28(22)15-19-11-21(27-30-19)18-7-4-10-24-14-18/h1-7,10,12,14,16,19H,8-9,11,13,15H2,(H,25,29).
What are the key properties of N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 24747852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).