N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

C11H13N5O2 — CID 136538965

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nnc(C3CC3)o2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-4-8(14-13-6)10(17)12-5-9-15-16-11(18-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,17)(H,13,14)
InChIKeyPBEWMFRIUDOPFJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.91
Rot. Bonds4

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 136538965) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID136538965
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nnc(C3CC3)o2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-4-8(14-13-6)10(17)12-5-9-15-16-11(18-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,17)(H,13,14)
InChIKeyPBEWMFRIUDOPFJ-UHFFFAOYSA-N
XLogP0.91
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 136538965) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nnc(C3CC3)o2)n[nH]1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PBEWMFRIUDOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-4-8(14-13-6)10(17)12-5-9-15-16-11(18-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,17)(H,13,14).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136538965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).