5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine

C10H17N3 — CID 165480554

IUPAC5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1(C)CCC1
InChIInChI=1S/C10H17N3/c1-8-9(11)6-12-13(8)7-10(2)4-3-5-10/h6H,3-5,7,11H2,1-2H3
InChIKeyRUIYWOCUAPZGPK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.96
Rot. Bonds2

About 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine

5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine (PubChem CID 165480554) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
PubChem CID165480554
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1(C)CCC1
InChIInChI=1S/C10H17N3/c1-8-9(11)6-12-13(8)7-10(2)4-3-5-10/h6H,3-5,7,11H2,1-2H3
InChIKeyRUIYWOCUAPZGPK-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine (CID 165480554) is 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine is Cc1c(N)cnn1CC1(C)CCC1.
What is the InChIKey of 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine?
The InChIKey is RUIYWOCUAPZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-9(11)6-12-13(8)7-10(2)4-3-5-10/h6H,3-5,7,11H2,1-2H3.
What are the key properties of 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine?
5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 165480554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).