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

C17H30ClN3 — CID 114649242

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C17H30ClN3/c1-4-10-19-16(14-8-6-13(3)7-9-14)17-15(18)12-20-21(17)11-5-2/h12-14,16,19H,4-11H2,1-3H3
InChIKeyVVPTWXQQWKAEMG-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.81
Rot. Bonds7

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

N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 114649242) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID114649242
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C17H30ClN3/c1-4-10-19-16(14-8-6-13(3)7-9-14)17-15(18)12-20-21(17)11-5-2/h12-14,16,19H,4-11H2,1-3H3
InChIKeyVVPTWXQQWKAEMG-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
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-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
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-ethylpyrazol-5-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105183177
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
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-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 114649242) is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1c(Cl)cnn1CCC)C1CCC(C)CC1.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is VVPTWXQQWKAEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-4-10-19-16(14-8-6-13(3)7-9-14)17-15(18)12-20-21(17)11-5-2/h12-14,16,19H,4-11H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 311.90 g/mol, XLogP of 4.81, 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)-(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 114649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).