5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine

C10H17N3 — CID 124842731

IUPAC5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1C[C@H]1CC[C@@H]1C
InChIInChI=1S/C10H17N3/c1-7-3-4-9(7)6-13-8(2)5-10(11)12-13/h5,7,9H,3-4,6H2,1-2H3,(H2,11,12)/t7-,9+/m0/s1
InChIKeyCPZNNVPYJYJGLP-IONNQARKSA-N
MW179.27 g/mol
LogP1.82
Rot. Bonds2

About 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine

5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine (PubChem CID 124842731) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine
PubChem CID124842731
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1C[C@H]1CC[C@@H]1C
InChIInChI=1S/C10H17N3/c1-7-3-4-9(7)6-13-8(2)5-10(11)12-13/h5,7,9H,3-4,6H2,1-2H3,(H2,11,12)/t7-,9+/m0/s1
InChIKeyCPZNNVPYJYJGLP-IONNQARKSA-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

1-(cyclopentylmethyl)-5-methylpyrazol-3-amine
CID 126975451
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
5-methyl-1-(oxan-4-yloxymethyl)pyrazol-3-amine
CID 165481943
2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
CID 135395095
5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine
CID 165479987
5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine
CID 165473765
2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol
CID 165483252
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618412
5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
CID 19618420
4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420425

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine (CID 124842731) is 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine is Cc1cc(N)nn1C[C@H]1CC[C@@H]1C.
What is the InChIKey of 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine?
The InChIKey is CPZNNVPYJYJGLP-IONNQARKSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-3-4-9(7)6-13-8(2)5-10(11)12-13/h5,7,9H,3-4,6H2,1-2H3,(H2,11,12)/t7-,9+/m0/s1.
What are the key properties of 5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine?
5-methyl-1-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-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-[[(1S,2S)-2-methylcyclobutyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 124842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).