1-(cyclopropylmethyl)pyrazol-4-amine

C7H11N3 — CID 43560372

IUPAC1-(cyclopropylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CC2)c1
InChIInChI=1S/C7H11N3/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4,8H2
InChIKeyMHSVYNAOIXCBLJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.88
Rot. Bonds2

About 1-(cyclopropylmethyl)pyrazol-4-amine

1-(cyclopropylmethyl)pyrazol-4-amine (PubChem CID 43560372) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)pyrazol-4-amine
PubChem CID43560372
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(cyclopropylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CC2)c1
InChIInChI=1S/C7H11N3/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4,8H2
InChIKeyMHSVYNAOIXCBLJ-UHFFFAOYSA-N
XLogP0.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)pyrazol-4-amine (CID 43560372) is 1-(cyclopropylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)pyrazol-4-amine is Nc1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)pyrazol-4-amine?
The InChIKey is MHSVYNAOIXCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4,8H2.
What are the key properties of 1-(cyclopropylmethyl)pyrazol-4-amine?
1-(cyclopropylmethyl)pyrazol-4-amine has a molecular weight of 137.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43560372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).