3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

C15H18N4O2 — CID 64892317

IUPAC3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccccc2Cn2cccn2)CCOC1
InChIInChI=1S/C15H18N4O2/c16-15(6-9-21-11-15)14(20)18-13-5-2-1-4-12(13)10-19-8-3-7-17-19/h1-5,7-8H,6,9-11,16H2,(H,18,20)
InChIKeyZXQKNFPWSDEKGF-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (PubChem CID 64892317) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
PubChem CID64892317
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccccc2Cn2cccn2)CCOC1
InChIInChI=1S/C15H18N4O2/c16-15(6-9-21-11-15)14(20)18-13-5-2-1-4-12(13)10-19-8-3-7-17-19/h1-5,7-8H,6,9-11,16H2,(H,18,20)
InChIKeyZXQKNFPWSDEKGF-UHFFFAOYSA-N
XLogP0.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
3-amino-N-[2-(ethoxymethyl)phenyl]oxolane-3-carboxamide
CID 64891108
3-amino-N-[2-[(dimethylamino)methyl]phenyl]oxolane-3-carboxamide
CID 64891107
3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893121
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
3-amino-N-(2-ethoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64893957
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687600

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (CID 64892317) is 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccccc2Cn2cccn2)CCOC1.
What is the InChIKey of 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is ZXQKNFPWSDEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-15(6-9-21-11-15)14(20)18-13-5-2-1-4-12(13)10-19-8-3-7-17-19/h1-5,7-8H,6,9-11,16H2,(H,18,20).
What are the key properties of 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).