4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide

C15H21N5O — CID 115988879

IUPAC4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H21N5O/c1-3-13-10(8-19(2)18-13)7-17-15(21)14-6-11(16)9-20(14)12-4-5-12/h6,8-9,12H,3-5,7,16H2,1-2H3,(H,17,21)
InChIKeyJGCCIXZROKNWDX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.63
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 115988879) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID115988879
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H21N5O/c1-3-13-10(8-19(2)18-13)7-17-15(21)14-6-11(16)9-20(14)12-4-5-12/h6,8-9,12H,3-5,7,16H2,1-2H3,(H,17,21)
InChIKeyJGCCIXZROKNWDX-UHFFFAOYSA-N
XLogP1.63
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718
4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
CID 106368478
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 104616599
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide (CID 115988879) is 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide is CCc1nn(C)cc1CNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is JGCCIXZROKNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-13-10(8-19(2)18-13)7-17-15(21)14-6-11(16)9-20(14)12-4-5-12/h6,8-9,12H,3-5,7,16H2,1-2H3,(H,17,21).
What are the key properties of 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 115988879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).