1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide

C11H18N4O2 — CID 63757374

IUPAC1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCNC2)c1C(N)=O
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)16)11(15(2)14-7)17-6-8-3-4-13-5-8/h8,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyJTHYQDMTVNPJIZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.18
Rot. Bonds4

About 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide

1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide (PubChem CID 63757374) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
PubChem CID63757374
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCNC2)c1C(N)=O
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)16)11(15(2)14-7)17-6-8-3-4-13-5-8/h8,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyJTHYQDMTVNPJIZ-UHFFFAOYSA-N
XLogP-0.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide (CID 63757374) is 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide is Cc1nn(C)c(OCC2CCNC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide?
The InChIKey is JTHYQDMTVNPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-9(10(12)16)11(15(2)14-7)17-6-8-3-4-13-5-8/h8,13H,3-6H2,1-2H3,(H2,12,16).
What are the key properties of 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide?
1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide is sourced from PubChem (CID 63757374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).