3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide

C14H15ClN4O2 — CID 64893352

IUPAC3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCOC1
InChIInChI=1S/C14H15ClN4O2/c15-10-3-1-4-11(12(10)19-7-2-6-17-19)18-13(20)14(16)5-8-21-9-14/h1-4,6-7H,5,8-9,16H2,(H,18,20)
InChIKeyISDXHGAJAWTQDB-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide

3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide (PubChem CID 64893352) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
PubChem CID64893352
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCOC1
InChIInChI=1S/C14H15ClN4O2/c15-10-3-1-4-11(12(10)19-7-2-6-17-19)18-13(20)14(16)5-8-21-9-14/h1-4,6-7H,5,8-9,16H2,(H,18,20)
InChIKeyISDXHGAJAWTQDB-UHFFFAOYSA-N
XLogP1.58
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893121
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
CID 64892312
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
CID 81499886
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide (CID 64893352) is 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide is NC1(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCOC1.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The InChIKey is ISDXHGAJAWTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-3-1-4-11(12(10)19-7-2-6-17-19)18-13(20)14(16)5-8-21-9-14/h1-4,6-7H,5,8-9,16H2,(H,18,20).
What are the key properties of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64893352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).