N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine

C13H25N3 — CID 115704138

IUPACN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3/c1-6-7-11(4)15-12(5)13-8-14-16(9-13)10(2)3/h8-12,15H,6-7H2,1-5H3
InChIKeyUDLVJNYWCVHLJK-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine

N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine (PubChem CID 115704138) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
PubChem CID115704138
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3/c1-6-7-11(4)15-12(5)13-8-14-16(9-13)10(2)3/h8-12,15H,6-7H2,1-5H3
InChIKeyUDLVJNYWCVHLJK-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine
CID 46318291
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine (CID 115704138) is N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1cnn(C(C)C)c1.
What is the InChIKey of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine?
The InChIKey is UDLVJNYWCVHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-11(4)15-12(5)13-8-14-16(9-13)10(2)3/h8-12,15H,6-7H2,1-5H3.
What are the key properties of N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine?
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 115704138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).