N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide

C10H16N4O4 — CID 122581520

IUPACN-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNC1C[C@@H](CNC(=O)c2ccn[nH]2)O[C@@H](O)C1O
InChIInChI=1S/C10H16N4O4/c11-6-3-5(18-10(17)8(6)15)4-12-9(16)7-1-2-13-14-7/h1-2,5-6,8,10,15,17H,3-4,11H2,(H,12,16)(H,13,14)/t5-,6?,8?,10+/m0/s1
InChIKeySEUWYMYQRASCSE-LCNWJDJDSA-N
MW256.26 g/mol
LogP-2.07
Rot. Bonds3

About N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 122581520) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID122581520
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNC1C[C@@H](CNC(=O)c2ccn[nH]2)O[C@@H](O)C1O
InChIInChI=1S/C10H16N4O4/c11-6-3-5(18-10(17)8(6)15)4-12-9(16)7-1-2-13-14-7/h1-2,5-6,8,10,15,17H,3-4,11H2,(H,12,16)(H,13,14)/t5-,6?,8?,10+/m0/s1
InChIKeySEUWYMYQRASCSE-LCNWJDJDSA-N
XLogP-2.07
TPSA133.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 114312220
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CID 95973460
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 130942246
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910
N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 60615566
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60508500

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 122581520) is N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide is NC1C[C@@H](CNC(=O)c2ccn[nH]2)O[C@@H](O)C1O.
What is the InChIKey of N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SEUWYMYQRASCSE-LCNWJDJDSA-N. The full InChI is InChI=1S/C10H16N4O4/c11-6-3-5(18-10(17)8(6)15)4-12-9(16)7-1-2-13-14-7/h1-2,5-6,8,10,15,17H,3-4,11H2,(H,12,16)(H,13,14)/t5-,6?,8?,10+/m0/s1.
What are the key properties of N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -2.07, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,6R)-4-amino-5,6-dihydroxyoxan-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122581520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).