N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide

C13H23N3O — CID 86930102

IUPACN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-5-6-7-13(17)14-9-8-12-10(2)15-16(4)11(12)3/h5-9H2,1-4H3,(H,14,17)
InChIKeyKDJHLQAYZRZATE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide

N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide (PubChem CID 86930102) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
PubChem CID86930102
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-5-6-7-13(17)14-9-8-12-10(2)15-16(4)11(12)3/h5-9H2,1-4H3,(H,14,17)
InChIKeyKDJHLQAYZRZATE-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
2-butyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068793
2-butyl-1-ethyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111150920
1-hexyl-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111160908
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide (CID 86930102) is N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide is CCCCC(=O)NCCc1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide?
The InChIKey is KDJHLQAYZRZATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-7-13(17)14-9-8-12-10(2)15-16(4)11(12)3/h5-9H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide?
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide has a molecular weight of 237.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 86930102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).