N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine

C18H27N3 — CID 64777619

IUPACN-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-17(5-2)21-13-12-16(20-21)14-18(19-6-3)15-10-8-7-9-11-15/h7-13,17-19H,4-6,14H2,1-3H3
InChIKeySXFAVWJQIHWMEH-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.14
Rot. Bonds8

About N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine

N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine (PubChem CID 64777619) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
PubChem CID64777619
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-17(5-2)21-13-12-16(20-21)14-18(19-6-3)15-10-8-7-9-11-15/h7-13,17-19H,4-6,14H2,1-3H3
InChIKeySXFAVWJQIHWMEH-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine (CID 64777619) is N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine is CCNC(Cc1ccn(C(CC)CC)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine?
The InChIKey is SXFAVWJQIHWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-17(5-2)21-13-12-16(20-21)14-18(19-6-3)15-10-8-7-9-11-15/h7-13,17-19H,4-6,14H2,1-3H3.
What are the key properties of N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine?
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine has a molecular weight of 285.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine is sourced from PubChem (CID 64777619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).