5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine

C16H17N5O2 — CID 138998692

IUPAC5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-n2ccc(CNc3nnc(C4CC4)o3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-22-14-6-4-13(5-7-14)21-9-8-12(20-21)10-17-16-19-18-15(23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,19)
InChIKeyIKAGYIVZMAVOMU-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.75
Rot. Bonds6

About 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 138998692) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID138998692
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-n2ccc(CNc3nnc(C4CC4)o3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-22-14-6-4-13(5-7-14)21-9-8-12(20-21)10-17-16-19-18-15(23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,19)
InChIKeyIKAGYIVZMAVOMU-UHFFFAOYSA-N
XLogP2.75
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284092
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 110917611
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
CID 133442724
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 72880115
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318084
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 111270685
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1-methylguanidine
CID 110030402
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 138998692) is 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine is COc1ccc(-n2ccc(CNc3nnc(C4CC4)o3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IKAGYIVZMAVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-22-14-6-4-13(5-7-14)21-9-8-12(20-21)10-17-16-19-18-15(23-16)11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,19).
What are the key properties of 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 311.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 138998692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).