2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine

C15H23N5 — CID 102923494

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)c1cncnc1
InChIInChI=1S/C15H23N5/c1-4-12(3)20-7-6-14(19-20)8-15(18-5-2)13-9-16-11-17-10-13/h6-7,9-12,15,18H,4-5,8H2,1-3H3
InChIKeyVUBTYQRTJVZYEK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine (PubChem CID 102923494) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
PubChem CID102923494
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)c1cncnc1
InChIInChI=1S/C15H23N5/c1-4-12(3)20-7-6-14(19-20)8-15(18-5-2)13-9-16-11-17-10-13/h6-7,9-12,15,18H,4-5,8H2,1-3H3
InChIKeyVUBTYQRTJVZYEK-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444581
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 107968388
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine (CID 102923494) is 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine is CCNC(Cc1ccn(C(C)CC)n1)c1cncnc1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The InChIKey is VUBTYQRTJVZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-12(3)20-7-6-14(19-20)8-15(18-5-2)13-9-16-11-17-10-13/h6-7,9-12,15,18H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).