1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide

C9H13N3O2 — CID 168910444

IUPAC1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-4-2-8(11-12)9(13)10-7-3-5-14-6-7/h2,4,7H,3,5-6H2,1H3,(H,10,13)/t7-/m0/s1
InChIKeyJVNMZXKURAWCTN-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.06
Rot. Bonds2

About 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide

1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide (PubChem CID 168910444) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
PubChem CID168910444
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-4-2-8(11-12)9(13)10-7-3-5-14-6-7/h2,4,7H,3,5-6H2,1H3,(H,10,13)/t7-/m0/s1
InChIKeyJVNMZXKURAWCTN-ZETCQYMHSA-N
XLogP-0.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide (CID 168910444) is 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@H]2CCOC2)n1.
What is the InChIKey of 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide?
The InChIKey is JVNMZXKURAWCTN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-4-2-8(11-12)9(13)10-7-3-5-14-6-7/h2,4,7H,3,5-6H2,1H3,(H,10,13)/t7-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 168910444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).