N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C16H18N4O4 — CID 156586340

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cnn1-c1ccccn1
InChIInChI=1S/C16H18N4O4/c1-9-10(6-18-20(9)13-4-2-3-5-17-13)16(22)19-11-7-23-15-12(21)8-24-14(11)15/h2-6,11-12,14-15,21H,7-8H2,1H3,(H,19,22)/t11-,12+,14+,15+/m0/s1
InChIKeySSGPGBYAWIRSGC-CTHBEMJXSA-N
MW330.34 g/mol
LogP-0.17
Rot. Bonds3

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 156586340) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID156586340
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cnn1-c1ccccn1
InChIInChI=1S/C16H18N4O4/c1-9-10(6-18-20(9)13-4-2-3-5-17-13)16(22)19-11-7-23-15-12(21)8-24-14(11)15/h2-6,11-12,14-15,21H,7-8H2,1H3,(H,19,22)/t11-,12+,14+,15+/m0/s1
InChIKeySSGPGBYAWIRSGC-CTHBEMJXSA-N
XLogP-0.17
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546093
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-1-pyridin-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78861089

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 156586340) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cnn1-c1ccccn1.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is SSGPGBYAWIRSGC-CTHBEMJXSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9-10(6-18-20(9)13-4-2-3-5-17-13)16(22)19-11-7-23-15-12(21)8-24-14(11)15/h2-6,11-12,14-15,21H,7-8H2,1H3,(H,19,22)/t11-,12+,14+,15+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 330.34 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 156586340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).