N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine

C11H21N3 — CID 75525238

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
SMILESCCn1nccc1CNC(C)(C)CC
InChIInChI=1S/C11H21N3/c1-5-11(3,4)12-9-10-7-8-13-14(10)6-2/h7-8,12H,5-6,9H2,1-4H3
InChIKeyNXRVNILTUSESSX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.18
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine

N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine (PubChem CID 75525238) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
PubChem CID75525238
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
SMILESCCn1nccc1CNC(C)(C)CC
InChIInChI=1S/C11H21N3/c1-5-11(3,4)12-9-10-7-8-13-14(10)6-2/h7-8,12H,5-6,9H2,1-4H3
InChIKeyNXRVNILTUSESSX-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 115761351
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpyrazol-3-amine
CID 19626399

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine (CID 75525238) is N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine is CCn1nccc1CNC(C)(C)CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine?
The InChIKey is NXRVNILTUSESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-11(3,4)12-9-10-7-8-13-14(10)6-2/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 75525238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).