(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

C15H17N5O — CID 43559619

IUPAC(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)c1nc(C(N)c2cnn(-c3ccccc3)c2)no1
InChIInChI=1S/C15H17N5O/c1-10(2)15-18-14(19-21-15)13(16)11-8-17-20(9-11)12-6-4-3-5-7-12/h3-10,13H,16H2,1-2H3
InChIKeyWYHNKRCAZSPIJP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds4

About (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559619) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559619
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)c1nc(C(N)c2cnn(-c3ccccc3)c2)no1
InChIInChI=1S/C15H17N5O/c1-10(2)15-18-14(19-21-15)13(16)11-8-17-20(9-11)12-6-4-3-5-7-12/h3-10,13H,16H2,1-2H3
InChIKeyWYHNKRCAZSPIJP-UHFFFAOYSA-N
XLogP2.43
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559660
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 105171096
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 107064195
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
3-(1-chloropropyl)-5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103095653

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559619) is (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is CC(C)c1nc(C(N)c2cnn(-c3ccccc3)c2)no1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is WYHNKRCAZSPIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(2)15-18-14(19-21-15)13(16)11-8-17-20(9-11)12-6-4-3-5-7-12/h3-10,13H,16H2,1-2H3.
What are the key properties of (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).