N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine

C12H21N3 — CID 115977534

IUPACN-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NCC1CCC1
InChIInChI=1S/C12H21N3/c1-11(13-10-12-4-2-5-12)6-9-15-8-3-7-14-15/h3,7-8,11-13H,2,4-6,9-10H2,1H3
InChIKeyMQLIALKTFPDSFT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds6

About N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine

N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine (PubChem CID 115977534) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
PubChem CID115977534
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NCC1CCC1
InChIInChI=1S/C12H21N3/c1-11(13-10-12-4-2-5-12)6-9-15-8-3-7-14-15/h3,7-8,11-13H,2,4-6,9-10H2,1H3
InChIKeyMQLIALKTFPDSFT-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
tert-butyl (3S,4R)-3-hydroxy-4-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 124874421
(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129475600
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129007407
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine (CID 115977534) is N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine is CC(CCn1cccn1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is MQLIALKTFPDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(13-10-12-4-2-5-12)6-9-15-8-3-7-14-15/h3,7-8,11-13H,2,4-6,9-10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine?
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 115977534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).