N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine

C17H31N3 — CID 64777209

IUPACN-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccn(C2CCCC2)n1)CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-14(13-18-17(2,3)4)9-10-15-11-12-20(19-15)16-7-5-6-8-16/h11-12,14,16,18H,5-10,13H2,1-4H3
InChIKeyYWHOCLUBBQETFD-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.95
Rot. Bonds6

About N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine

N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine (PubChem CID 64777209) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
PubChem CID64777209
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
SMILESCC(CCc1ccn(C2CCCC2)n1)CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-14(13-18-17(2,3)4)9-10-15-11-12-20(19-15)16-7-5-6-8-16/h11-12,14,16,18H,5-10,13H2,1-4H3
InChIKeyYWHOCLUBBQETFD-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777399
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(3-bromo-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64777282
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(3-bromo-4-methoxybutyl)-1-cyclopentylpyrazole
CID 64780038
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine (CID 64777209) is N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine is CC(CCc1ccn(C2CCCC2)n1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is YWHOCLUBBQETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(13-18-17(2,3)4)9-10-15-11-12-20(19-15)16-7-5-6-8-16/h11-12,14,16,18H,5-10,13H2,1-4H3.
What are the key properties of N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine?
N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 64777209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).