1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide

C10H12N4O2 — CID 164800737

IUPAC1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
SMILESN#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)cn1
InChIInChI=1S/C10H12N4O2/c11-3-7-1-2-16-6-9(7)14-5-8(4-13-14)10(12)15/h4-5,7,9H,1-2,6H2,(H2,12,15)/t7-,9+/m0/s1
InChIKeyYJDXWURNXKOLTJ-IONNQARKSA-N
MW220.23 g/mol
LogP0.08
Rot. Bonds2

About 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide

1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide (PubChem CID 164800737) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
PubChem CID164800737
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
SMILESN#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)cn1
InChIInChI=1S/C10H12N4O2/c11-3-7-1-2-16-6-9(7)14-5-8(4-13-14)10(12)15/h4-5,7,9H,1-2,6H2,(H2,12,15)/t7-,9+/m0/s1
InChIKeyYJDXWURNXKOLTJ-IONNQARKSA-N
XLogP0.08
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
CID 154933810
3-amino-1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxylic acid
CID 155254944
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
3-anilino-1-[(3S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471137
1-[(3S,4R)-4-cyanooxan-3-yl]-3-[4-(dimethylcarbamoyl)anilino]pyrazole-4-carboxamide
CID 90343371
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(4-fluoro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)amino]pyrazole-4-carboxamide
CID 174012991
1-[(3R)-4-cyanooxan-3-yl]-3-[(1-hydroxy-3-methyl-3H-2,1-benzoxaborol-5-yl)amino]pyrazole-4-carboxamide
CID 174013117
1-[(3R)-4-cyanooxan-3-yl]-3-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)amino]pyrazole-4-carboxamide
CID 174012995
1-[(4S)-4-cyanooxan-3-yl]-3-[(2-hydroxy-3,4,8-trimethyl-1,2-benzoxaborinin-6-yl)amino]pyrazole-4-carboxamide
CID 164800643
CID 164542945
CID 164542945
methyl 4-[[4-carbamoyl-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazol-3-yl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 174013027
1-[(4S)-4-cyanooxan-3-yl]-3-[[2-hydroxy-3-(2-hydroxyethyl)-1,2-benzoxaborinin-6-yl]amino]pyrazole-4-carboxamide
CID 164542770

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide (CID 164800737) is 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide is N#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide?
The InChIKey is YJDXWURNXKOLTJ-IONNQARKSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-3-7-1-2-16-6-9(7)14-5-8(4-13-14)10(12)15/h4-5,7,9H,1-2,6H2,(H2,12,15)/t7-,9+/m0/s1.
What are the key properties of 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide?
1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 164800737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).