4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide

C13H17N5O — CID 104616599

IUPAC4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H17N5O/c1-2-8-6-15-17-12(8)16-13(19)11-5-9(14)7-18(11)10-3-4-10/h5-7,10H,2-4,14H2,1H3,(H2,15,16,17,19)
InChIKeyJABNVIQDUBMCJO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 104616599) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
PubChem CID104616599
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H17N5O/c1-2-8-6-15-17-12(8)16-13(19)11-5-9(14)7-18(11)10-3-4-10/h5-7,10H,2-4,14H2,1H3,(H2,15,16,17,19)
InChIKeyJABNVIQDUBMCJO-UHFFFAOYSA-N
XLogP1.94
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide (CID 104616599) is 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide is CCc1cn[nH]c1NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is JABNVIQDUBMCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-8-6-15-17-12(8)16-13(19)11-5-9(14)7-18(11)10-3-4-10/h5-7,10H,2-4,14H2,1H3,(H2,15,16,17,19).
What are the key properties of 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(4-ethyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 104616599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).