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

C12H20ClN3 — CID 105040461

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(C)CCCC1
InChIInChI=1S/C12H20ClN3/c1-3-16-10(9(13)8-15-16)11(14)12(2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3
InChIKeyVKNRHXJNHQQMFP-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.14
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine (PubChem CID 105040461) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
PubChem CID105040461
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(C)CCCC1
InChIInChI=1S/C12H20ClN3/c1-3-16-10(9(13)8-15-16)11(14)12(2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3
InChIKeyVKNRHXJNHQQMFP-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine (CID 105040461) is (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine is CCn1ncc(Cl)c1C(N)C1(C)CCCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The InChIKey is VKNRHXJNHQQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-3-16-10(9(13)8-15-16)11(14)12(2)6-4-5-7-12/h8,11H,3-7,14H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine has a molecular weight of 241.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105040461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).