5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide

C12H21N5O — CID 55242488

IUPAC5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(c1c(C(N)=O)c(C)nn1C)C1CCNC1
InChIInChI=1S/C12H21N5O/c1-4-17(9-5-6-14-7-9)12-10(11(13)18)8(2)15-16(12)3/h9,14H,4-7H2,1-3H3,(H2,13,18)
InChIKeyDNSTXCBOFVZZPY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds4

About 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide

5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 55242488) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID55242488
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCN(c1c(C(N)=O)c(C)nn1C)C1CCNC1
InChIInChI=1S/C12H21N5O/c1-4-17(9-5-6-14-7-9)12-10(11(13)18)8(2)15-16(12)3/h9,14H,4-7H2,1-3H3,(H2,13,18)
InChIKeyDNSTXCBOFVZZPY-UHFFFAOYSA-N
XLogP0.02
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide (CID 55242488) is 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide is CCN(c1c(C(N)=O)c(C)nn1C)C1CCNC1.
What is the InChIKey of 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is DNSTXCBOFVZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(9-5-6-14-7-9)12-10(11(13)18)8(2)15-16(12)3/h9,14H,4-7H2,1-3H3,(H2,13,18).
What are the key properties of 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide?
5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(pyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55242488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).