3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide

C9H14N4O2 — CID 95369014

IUPAC3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC[C@H]2CCCO2)[nH]n1
InChIInChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13)/t6-/m1/s1
InChIKeySANHUKFNYFQTEF-ZCFIWIBFSA-N
MW210.24 g/mol
LogP-0.10
Rot. Bonds3

About 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 95369014) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID95369014
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC[C@H]2CCCO2)[nH]n1
InChIInChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13)/t6-/m1/s1
InChIKeySANHUKFNYFQTEF-ZCFIWIBFSA-N
XLogP-0.10
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792850
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2200753
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 95369014) is 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NC[C@H]2CCCO2)[nH]n1.
What is the InChIKey of 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SANHUKFNYFQTEF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13)/t6-/m1/s1.
What are the key properties of 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95369014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).