1-(1,3-benzoxazol-2-yl)pyrazol-4-amine

C10H8N4O — CID 61174865

IUPAC1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
SMILESNc1cnn(-c2nc3ccccc3o2)c1
InChIInChI=1S/C10H8N4O/c11-7-5-12-14(6-7)10-13-8-3-1-2-4-9(8)15-10/h1-6H,11H2
InChIKeyNTVORUCJMRQQOM-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.60
Rot. Bonds1

About 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine

1-(1,3-benzoxazol-2-yl)pyrazol-4-amine (PubChem CID 61174865) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
PubChem CID61174865
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
SMILESNc1cnn(-c2nc3ccccc3o2)c1
InChIInChI=1S/C10H8N4O/c11-7-5-12-14(6-7)10-13-8-3-1-2-4-9(8)15-10/h1-6H,11H2
InChIKeyNTVORUCJMRQQOM-UHFFFAOYSA-N
XLogP1.60
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3-benzoxazol-2-yl)pyrazol-4-yl]aniline
CID 63338651
2-(4-nitropyrazol-1-yl)-1,3-benzoxazole
CID 71864654
2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883039
2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 79890978
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-cinnolin-4-ylpyrazol-4-amine
CID 63587333
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
CID 168701308
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
3-(1,3-benzoxazol-2-yl)-1,3-benzoxazole-2-thione
CID 4206564
1-(6-chloro-2-pyridinyl)pyrazol-4-amine
CID 84773266

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine (CID 61174865) is 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine is Nc1cnn(-c2nc3ccccc3o2)c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine?
The InChIKey is NTVORUCJMRQQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-7-5-12-14(6-7)10-13-8-3-1-2-4-9(8)15-10/h1-6H,11H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine?
1-(1,3-benzoxazol-2-yl)pyrazol-4-amine has a molecular weight of 200.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 61174865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).