1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

C15H26ClN3 — CID 114655712

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C15H26ClN3/c1-5-11-6-7-12(8-11)14(17-4)15-13(16)9-18-19(15)10(2)3/h9-12,14,17H,5-8H2,1-4H3
InChIKeyHADNCJORLCIZPC-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 114655712) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
PubChem CID114655712
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C15H26ClN3/c1-5-11-6-7-12(8-11)14(17-4)15-13(16)9-18-19(15)10(2)3/h9-12,14,17H,5-8H2,1-4H3
InChIKeyHADNCJORLCIZPC-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylmethanamine
CID 114658152
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105183622
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (CID 114655712) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is CCC1CCC(C(NC)c2c(Cl)cnn2C(C)C)C1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is HADNCJORLCIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-11-6-7-12(8-11)14(17-4)15-13(16)9-18-19(15)10(2)3/h9-12,14,17H,5-8H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 283.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 114655712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).