N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C15H26BrN3 — CID 105040348

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1CC)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H26BrN3/c1-7-17-11(13-14(3,4)15(13,5)6)12-10(16)9-18-19(12)8-2/h9,11,13,17H,7-8H2,1-6H3
InChIKeyCOYHAIRKOBGNKP-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.00
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 105040348) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID105040348
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1CC)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H26BrN3/c1-7-17-11(13-14(3,4)15(13,5)6)12-10(16)9-18-19(12)8-2/h9,11,13,17H,7-8H2,1-6H3
InChIKeyCOYHAIRKOBGNKP-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105042331
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 114655546
(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834787
N-[(4-bromo-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654743
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114658042
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105182896
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115816305
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648474
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105183011

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 105040348) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1c(Br)cnn1CC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is COYHAIRKOBGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-7-17-11(13-14(3,4)15(13,5)6)12-10(16)9-18-19(12)8-2/h9,11,13,17H,7-8H2,1-6H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 328.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105040348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).