1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine

C15H28ClN3 — CID 114651928

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H28ClN3/c1-7-8-17-13(9-15(4,5)6)14-12(16)10-18-19(14)11(2)3/h10-11,13,17H,7-9H2,1-6H3
InChIKeyCYUSIDJJVGUAMK-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.59
Rot. Bonds6

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 114651928) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID114651928
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H28ClN3/c1-7-8-17-13(9-15(4,5)6)14-12(16)10-18-19(14)11(2)3/h10-11,13,17H,7-9H2,1-6H3
InChIKeyCYUSIDJJVGUAMK-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 114653705
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103150042
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105183643
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517
N-[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 114652806
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine (CID 114651928) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is CYUSIDJJVGUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-7-8-17-13(9-15(4,5)6)14-12(16)10-18-19(14)11(2)3/h10-11,13,17H,7-9H2,1-6H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 285.86 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 114651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).