1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C13H22ClN3 — CID 105040912

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(NC)C1(C)CCCC1
InChIInChI=1S/C13H22ClN3/c1-4-17-11(10(14)9-16-17)12(15-3)13(2)7-5-6-8-13/h9,12,15H,4-8H2,1-3H3
InChIKeyMVTFAWDBHWLMAT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 105040912) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID105040912
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(NC)C1(C)CCCC1
InChIInChI=1S/C13H22ClN3/c1-4-17-11(10(14)9-16-17)12(15-3)13(2)7-5-6-8-13/h9,12,15H,4-8H2,1-3H3
InChIKeyMVTFAWDBHWLMAT-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830598
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830594
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105054630

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 105040912) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CCn1ncc(Cl)c1C(NC)C1(C)CCCC1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is MVTFAWDBHWLMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-17-11(10(14)9-16-17)12(15-3)13(2)7-5-6-8-13/h9,12,15H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 255.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105040912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).