5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide

C10H16N4O — CID 117213743

IUPAC5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC2CC2)c1N
InChIInChI=1S/C10H16N4O/c1-6(2)14-9(11)8(5-12-14)10(15)13-7-3-4-7/h5-7H,3-4,11H2,1-2H3,(H,13,15)
InChIKeyKCSJHRNWOVTSAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.94
Rot. Bonds3

About 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide

5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 117213743) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID117213743
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC2CC2)c1N
InChIInChI=1S/C10H16N4O/c1-6(2)14-9(11)8(5-12-14)10(15)13-7-3-4-7/h5-7H,3-4,11H2,1-2H3,(H,13,15)
InChIKeyKCSJHRNWOVTSAK-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide (CID 117213743) is 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(=O)NC2CC2)c1N.
What is the InChIKey of 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KCSJHRNWOVTSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6(2)14-9(11)8(5-12-14)10(15)13-7-3-4-7/h5-7H,3-4,11H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 117213743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).