5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine

C10H17N3 — CID 165472636

IUPAC5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1CC(C)C1
InChIInChI=1S/C10H17N3/c1-7-3-9(4-7)6-13-8(2)10(11)5-12-13/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyPYTFPTCGMGIRKI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.82
Rot. Bonds2

About 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine

5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine (PubChem CID 165472636) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine
PubChem CID165472636
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1CC(C)C1
InChIInChI=1S/C10H17N3/c1-7-3-9(4-7)6-13-8(2)10(11)5-12-13/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyPYTFPTCGMGIRKI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 165480206
1-(cyclopropylmethyl)-6-methylindazol-4-amine
CID 68618345
[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol
CID 165494261
5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-amine
CID 118678409
1-(2-ethoxyethyl)-5-methylpyrazol-4-amine
CID 165473067
1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine
CID 165473327
1-[(3-methylcyclobutyl)methyl]imidazol-2-amine
CID 165481541
1-(cyclobutylmethyl)-4-iodo-5-methylpyrazole
CID 175686716
5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165480554
1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
CID 131351802
5-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
CID 118280739
1-(2-cyclopentyloxyethyl)-5-methylpyrazol-4-amine
CID 165480190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine (CID 165472636) is 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine is Cc1c(N)cnn1CC1CC(C)C1.
What is the InChIKey of 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine?
The InChIKey is PYTFPTCGMGIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-3-9(4-7)6-13-8(2)10(11)5-12-13/h5,7,9H,3-4,6,11H2,1-2H3.
What are the key properties of 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine?
5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 165472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).