N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C15H27N3 — CID 115816305

IUPACN-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H27N3/c1-7-16-12(11-9-17-18(8-2)10-11)13-14(3,4)15(13,5)6/h9-10,12-13,16H,7-8H2,1-6H3
InChIKeyMIJAYPGRLDRHTG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 115816305) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID115816305
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H27N3/c1-7-16-12(11-9-17-18(8-2)10-11)13-14(3,4)15(13,5)6/h9-10,12-13,16H,7-8H2,1-6H3
InChIKeyMIJAYPGRLDRHTG-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
[(2,2-dimethylcyclopropyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 107005582
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
N-[(1-ethylpyrazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79663131
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
N-[2,3-dihydro-1,4-benzoxathiin-2-yl-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 106601719
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105042331
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 115816305) is N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1cnn(CC)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is MIJAYPGRLDRHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-16-12(11-9-17-18(8-2)10-11)13-14(3,4)15(13,5)6/h9-10,12-13,16H,7-8H2,1-6H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115816305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).