N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine

C13H25N3 — CID 62731248

IUPACN-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(CCC(C)C)c1
InChIInChI=1S/C13H25N3/c1-5-7-14-12(4)13-9-15-16(10-13)8-6-11(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyRWAIFLPSZGVUHF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds7

About N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62731248) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62731248
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(CCC(C)C)c1
InChIInChI=1S/C13H25N3/c1-5-7-14-12(4)13-9-15-16(10-13)8-6-11(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyRWAIFLPSZGVUHF-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
CID 114265888
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
N-[1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732152
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731250
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
N-ethyl-3-(1-propylpyrazol-4-yl)butan-1-amine
CID 81018561
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
N-[1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 116790465

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine (CID 62731248) is N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(CCC(C)C)c1.
What is the InChIKey of N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is RWAIFLPSZGVUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-14-12(4)13-9-15-16(10-13)8-6-11(2)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62731248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).