5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide

C8H12N4O — CID 123950872

IUPAC5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1C1CC1N
InChIInChI=1S/C8H12N4O/c1-12-7(4-2-5(4)9)3-6(11-12)8(10)13/h3-5H,2,9H2,1H3,(H2,10,13)
InChIKeyMLNNZTDOYGTYQO-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.67
Rot. Bonds2

About 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide

5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide (PubChem CID 123950872) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide
PubChem CID123950872
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(N)=O)cc1C1CC1N
InChIInChI=1S/C8H12N4O/c1-12-7(4-2-5(4)9)3-6(11-12)8(10)13/h3-5H,2,9H2,1H3,(H2,10,13)
InChIKeyMLNNZTDOYGTYQO-UHFFFAOYSA-N
XLogP-0.67
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide (CID 123950872) is 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(N)=O)cc1C1CC1N.
What is the InChIKey of 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MLNNZTDOYGTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-7(4-2-5(4)9)3-6(11-12)8(10)13/h3-5H,2,9H2,1H3,(H2,10,13).
What are the key properties of 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide?
5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 123950872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).