N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine

C16H28ClN3 — CID 114655689

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C1CCC(C)C1
InChIInChI=1S/C16H28ClN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3
InChIKeyVGLCCXFRTHJKBO-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.42
Rot. Bonds7

About N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine

N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 114655689) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID114655689
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C1CCC(C)C1
InChIInChI=1S/C16H28ClN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3
InChIKeyVGLCCXFRTHJKBO-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
N-[3-bicyclo[3.1.0]hexanyl-(4-chloro-1-ethylpyrazol-5-yl)methyl]propan-1-amine
CID 105040488
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655933
N-[(4-chloro-1-ethylpyrazol-5-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105183177
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
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
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 114655689) is N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(Cl)cnn1CCC)C1CCC(C)C1.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is VGLCCXFRTHJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 114655689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).