(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C13H22ClN3 — CID 105040745

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H22ClN3/c1-6-17-10(8(14)7-16-17)9(15)11-12(2,3)13(11,4)5/h7,9,11H,6,15H2,1-5H3
InChIKeyMIWUEVAFEADZIL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.24
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 105040745) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID105040745
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H22ClN3/c1-6-17-10(8(14)7-16-17)9(15)11-12(2,3)13(11,4)5/h7,9,11H,6,15H2,1-5H3
InChIKeyMIWUEVAFEADZIL-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.24
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-methylcyclopentyl)methanamine
CID 105040461
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-chloro-1-ethylpyrazol-5-yl)methanamine
CID 105040816
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
(4-chloro-1-ethylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105183129
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 105040745) is (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is CCn1ncc(Cl)c1C(N)C1C(C)(C)C1(C)C.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is MIWUEVAFEADZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-6-17-10(8(14)7-16-17)9(15)11-12(2,3)13(11,4)5/h7,9,11H,6,15H2,1-5H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 255.79 g/mol, XLogP of 3.24, 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)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 105040745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).