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

C13H17N5O — CID 82881718

IUPAC4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(N)cn2C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-17-5-4-10(16-17)7-15-13(19)12-6-9(14)8-18(12)11-2-3-11/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19)
InChIKeyUQYPOUWRNDANEY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds4

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

4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 82881718) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID82881718
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(N)cn2C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-17-5-4-10(16-17)7-15-13(19)12-6-9(14)8-18(12)11-2-3-11/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19)
InChIKeyUQYPOUWRNDANEY-UHFFFAOYSA-N
XLogP1.07
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide (CID 82881718) is 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide is Cn1ccc(CNC(=O)c2cc(N)cn2C2CC2)n1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is UQYPOUWRNDANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-5-4-10(16-17)7-15-13(19)12-6-9(14)8-18(12)11-2-3-11/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19).
What are the key properties of 4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.07, 4 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-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 82881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).