3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

C10H10ClN5O2 — CID 16763672

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C10H10ClN5O2/c11-6-3-12-16(4-6)5-8-14-10(18-15-8)9(17)13-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,17)
InChIKeyRHCOZVOHOVRZND-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.86
Rot. Bonds4

About 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16763672) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID16763672
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C10H10ClN5O2/c11-6-3-12-16(4-6)5-8-14-10(18-15-8)9(17)13-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,17)
InChIKeyRHCOZVOHOVRZND-UHFFFAOYSA-N
XLogP0.86
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5297979
N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298143
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568750
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53626023
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 95353981
N-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 121195122
(2S)-2-(4-chloropyrazol-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]propanamide
CID 164642888
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 16763697
3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylpropan-1-amine
CID 53560771

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (CID 16763672) is 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CC1)c1nc(Cn2cc(Cl)cn2)no1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RHCOZVOHOVRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-6-3-12-16(4-6)5-8-14-10(18-15-8)9(17)13-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,17).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 267.68 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16763672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).