3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C15H18N4O2 — CID 64892585

IUPAC3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCOC1
InChIInChI=1S/C15H18N4O2/c16-15(6-7-21-11-15)14(20)17-8-12-9-18-19(10-12)13-4-2-1-3-5-13/h1-5,9-10H,6-8,11,16H2,(H,17,20)
InChIKeyDTYSLUVPQAFCBR-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.61
Rot. Bonds4

About 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 64892585) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID64892585
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCOC1
InChIInChI=1S/C15H18N4O2/c16-15(6-7-21-11-15)14(20)17-8-12-9-18-19(10-12)13-4-2-1-3-5-13/h1-5,9-10H,6-8,11,16H2,(H,17,20)
InChIKeyDTYSLUVPQAFCBR-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920833
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 64892585) is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide is NC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCOC1.
What is the InChIKey of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is DTYSLUVPQAFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-15(6-7-21-11-15)14(20)17-8-12-9-18-19(10-12)13-4-2-1-3-5-13/h1-5,9-10H,6-8,11,16H2,(H,17,20).
What are the key properties of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).