1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine

C13H24ClN3 — CID 105046660

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1c(Cl)cnn1C
InChIInChI=1S/C13H24ClN3/c1-5-7-15-12(8-10(3)6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyOUSKSUKXQQIRFR-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.55
Rot. Bonds7

About 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 105046660) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID105046660
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1c(Cl)cnn1C
InChIInChI=1S/C13H24ClN3/c1-5-7-15-12(8-10(3)6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyOUSKSUKXQQIRFR-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
1-(4-chloro-1-methylpyrazol-5-yl)-4-ethoxy-N-propylbutan-1-amine
CID 105186139
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375
1-(4-chloro-1-methylpyrazol-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148778
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114661226
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine (CID 105046660) is 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is OUSKSUKXQQIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3/c1-5-7-15-12(8-10(3)6-2)13-11(14)9-16-17(13)4/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 257.81 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105046660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).