1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine

C17H32ClN3 — CID 105042520

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C(CCC)CCC
InChIInChI=1S/C17H32ClN3/c1-5-9-14(10-6-2)16(19-11-7-3)17-15(18)13-20-21(17)12-8-4/h13-14,16,19H,5-12H2,1-4H3
InChIKeyWSISDMULUQVINQ-UHFFFAOYSA-N
MW313.92 g/mol
LogP5.20
Rot. Bonds11

About 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine (PubChem CID 105042520) has the molecular formula C17H32ClN3 and a molecular weight of 313.92 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
PubChem CID105042520
Molecular FormulaC17H32ClN3
Molecular Weight313.92 g/mol
Exact Mass313.23
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C(CCC)CCC
InChIInChI=1S/C17H32ClN3/c1-5-9-14(10-6-2)16(19-11-7-3)17-15(18)13-20-21(17)12-8-4/h13-14,16,19H,5-12H2,1-4H3
InChIKeyWSISDMULUQVINQ-UHFFFAOYSA-N
XLogP5.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114658631
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine (CID 105042520) is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine is CCCNC(c1c(Cl)cnn1CCC)C(CCC)CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The InChIKey is WSISDMULUQVINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClN3/c1-5-9-14(10-6-2)16(19-11-7-3)17-15(18)13-20-21(17)12-8-4/h13-14,16,19H,5-12H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine has a molecular weight of 313.92 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 105042520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).