N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine

C13H24ClN3 — CID 104828116

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCCn1nc(C)c(Cl)c1CNC(C)C(C)(C)C
InChIInChI=1S/C13H24ClN3/c1-7-17-11(12(14)9(2)16-17)8-15-10(3)13(4,5)6/h10,15H,7-8H2,1-6H3
InChIKeyUFMONDHVZOLGPV-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.39
Rot. Bonds4

About N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 104828116) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID104828116
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCCn1nc(C)c(Cl)c1CNC(C)C(C)(C)C
InChIInChI=1S/C13H24ClN3/c1-7-17-11(12(14)9(2)16-17)8-15-10(3)13(4,5)6/h10,15H,7-8H2,1-6H3
InChIKeyUFMONDHVZOLGPV-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpentan-3-amine
CID 106353832
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-iodo-3-methylbutan-2-amine
CID 107859448
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83160310
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
4-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 81015787
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 104998740
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247178
5-(3-bromo-2,2-dimethylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 66048622
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pentan-2-ol
CID 113495772
4-bromo-2,3-dichloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107789023

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine (CID 104828116) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine is CCn1nc(C)c(Cl)c1CNC(C)C(C)(C)C.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is UFMONDHVZOLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-7-17-11(12(14)9(2)16-17)8-15-10(3)13(4,5)6/h10,15H,7-8H2,1-6H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 257.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104828116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).