N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

C13H24ClN3 — CID 83044250

IUPACN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1
InChIInChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3
InChIKeyCYMASQAFCWQERY-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.57
Rot. Bonds5

About N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (PubChem CID 83044250) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
PubChem CID83044250
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1
InChIInChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3
InChIKeyCYMASQAFCWQERY-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
CID 19619815
N-tert-butyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-amine
CID 83045708
3-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019736
N-tert-butyl-2-(2-propylimidazol-1-yl)pentan-1-amine
CID 83044065
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine
CID 62446749
N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028
4-(4-chloro-3-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708146
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
CID 42576127
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
1-[2-(bromomethyl)pentyl]-4-chloro-3-methylpyrazole
CID 65011329
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (CID 83044250) is N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)n1cc(Cl)c(C)n1.
What is the InChIKey of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The InChIKey is CYMASQAFCWQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-6-7-11(8-15-13(3,4)5)17-9-12(14)10(2)16-17/h9,11,15H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine has a molecular weight of 257.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 83044250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).