1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine

C11H21N3 — CID 124932283

IUPAC1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
SMILESCCCCNc1ccn([C@@H](C)CC)n1
InChIInChI=1S/C11H21N3/c1-4-6-8-12-11-7-9-14(13-11)10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeySEEGEDWAZGHGMD-JTQLQIEISA-N
MW195.31 g/mol
LogP3.07
Rot. Bonds6

About 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine

1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine (PubChem CID 124932283) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
PubChem CID124932283
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
SMILESCCCCNc1ccn([C@@H](C)CC)n1
InChIInChI=1S/C11H21N3/c1-4-6-8-12-11-7-9-14(13-11)10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeySEEGEDWAZGHGMD-JTQLQIEISA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
CID 114094321
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266
1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
1-butan-2-yl-3-propan-2-ylpyrazole
CID 66015540
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine (CID 124932283) is 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine is CCCCNc1ccn([C@@H](C)CC)n1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine?
The InChIKey is SEEGEDWAZGHGMD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-8-12-11-7-9-14(13-11)10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine?
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine is sourced from PubChem (CID 124932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).