N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine

C13H26N4 — CID 114265888

IUPACN,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
SMILESCCCNC(C)c1cnn(CCCN(C)C)c1
InChIInChI=1S/C13H26N4/c1-5-7-14-12(2)13-10-15-17(11-13)9-6-8-16(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyIFLFWQJNGJDMLZ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds8

About N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine

N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine (PubChem CID 114265888) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
PubChem CID114265888
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
SMILESCCCNC(C)c1cnn(CCCN(C)C)c1
InChIInChI=1S/C13H26N4/c1-5-7-14-12(2)13-10-15-17(11-13)9-6-8-16(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyIFLFWQJNGJDMLZ-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
CID 59186257
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
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
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
N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731611
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine (CID 114265888) is N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine is CCCNC(C)c1cnn(CCCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine?
The InChIKey is IFLFWQJNGJDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-14-12(2)13-10-15-17(11-13)9-6-8-16(3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 114265888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).