1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine

C17H30ClN3 — CID 105001487

IUPAC1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1CC)C(C)C1CC1
InChIInChI=1S/C17H30ClN3/c1-5-10-19-15(12(4)13-8-9-13)11-16-17(18)14(6-2)20-21(16)7-3/h12-13,15,19H,5-11H2,1-4H3
InChIKeyGKSFXADQENVZLX-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.08
Rot. Bonds9

About 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine

1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 105001487) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID105001487
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1CC)C(C)C1CC1
InChIInChI=1S/C17H30ClN3/c1-5-10-19-15(12(4)13-8-9-13)11-16-17(18)14(6-2)20-21(16)7-3/h12-13,15,19H,5-11H2,1-4H3
InChIKeyGKSFXADQENVZLX-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 104998602
5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
CID 79617561
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105161506
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(thiolan-3-yl)ethanamine
CID 105161533
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627356
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine (CID 105001487) is 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1c(Cl)c(CC)nn1CC)C(C)C1CC1.
What is the InChIKey of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is GKSFXADQENVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-5-10-19-15(12(4)13-8-9-13)11-16-17(18)14(6-2)20-21(16)7-3/h12-13,15,19H,5-11H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 105001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).