1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

C15H27ClN4 — CID 114656630

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(C)(C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-8-20-13(12(16)11-18-20)14(17-4)15(2,3)19-9-6-7-10-19/h11,14,17H,5-10H2,1-4H3
InChIKeySSEUWFCLGUVWSD-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 114656630) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID114656630
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(C)(C)N1CCCC1
InChIInChI=1S/C15H27ClN4/c1-5-8-20-13(12(16)11-18-20)14(17-4)15(2,3)19-9-6-7-10-19/h11,14,17H,5-10H2,1-4H3
InChIKeySSEUWFCLGUVWSD-UHFFFAOYSA-N
XLogP3.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656616
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (CID 114656630) is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is CCCn1ncc(Cl)c1C(NC)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is SSEUWFCLGUVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-8-20-13(12(16)11-18-20)14(17-4)15(2,3)19-9-6-7-10-19/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 298.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 114656630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).