N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

C13H23N3 — CID 105157191

IUPACN-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-5-8-14-13(11-6-7-11)12-9(2)15-16(4)10(12)3/h11,13-14H,5-8H2,1-4H3
InChIKeyZFJSMWGDDHOBEO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.49
Rot. Bonds5

About N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105157191) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105157191
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-5-8-14-13(11-6-7-11)12-9(2)15-16(4)10(12)3/h11,13-14H,5-8H2,1-4H3
InChIKeyZFJSMWGDDHOBEO-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxolan-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105147577
[(4-methylcyclohexyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105311803
N-[2,2-difluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 80604939
[cyclobutyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105340101
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
[oxan-4-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105306209
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105096984
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105157191) is N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1c(C)nn(C)c1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZFJSMWGDDHOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-14-13(11-6-7-11)12-9(2)15-16(4)10(12)3/h11,13-14H,5-8H2,1-4H3.
What are the key properties of N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105157191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).