1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide

C10H14N4O3 — CID 130443119

IUPAC1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C10H14N4O3/c1-14-8(7(4-12-14)9(11)15)10(16)13-6-2-3-17-5-6/h4,6H,2-3,5H2,1H3,(H2,11,15)(H,13,16)/t6-/m0/s1
InChIKeyDPOUYLZRICVSQD-LURJTMIESA-N
MW238.25 g/mol
LogP-0.96
Rot. Bonds3

About 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide

1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide (PubChem CID 130443119) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide
PubChem CID130443119
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C10H14N4O3/c1-14-8(7(4-12-14)9(11)15)10(16)13-6-2-3-17-5-6/h4,6H,2-3,5H2,1H3,(H2,11,15)(H,13,16)/t6-/m0/s1
InChIKeyDPOUYLZRICVSQD-LURJTMIESA-N
XLogP-0.96
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide (CID 130443119) is 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide is Cn1ncc(C(N)=O)c1C(=O)N[C@H]1CCOC1.
What is the InChIKey of 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide?
The InChIKey is DPOUYLZRICVSQD-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N4O3/c1-14-8(7(4-12-14)9(11)15)10(16)13-6-2-3-17-5-6/h4,6H,2-3,5H2,1H3,(H2,11,15)(H,13,16)/t6-/m0/s1.
What are the key properties of 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide?
1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide has a molecular weight of 238.25 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[(3S)-oxolan-3-yl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 130443119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).