N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C13H21N5 — CID 82876021

IUPACN-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C13H21N5/c1-4-7-14-13(12-6-9-18(3)16-12)10-11-5-8-17(2)15-11/h5-6,8-9,13-14H,4,7,10H2,1-3H3
InChIKeyZQYZPHJKKJOFIP-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.44
Rot. Bonds6

About N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 82876021) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID82876021
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C13H21N5/c1-4-7-14-13(12-6-9-18(3)16-12)10-11-5-8-17(2)15-11/h5-6,8-9,13-14H,4,7,10H2,1-3H3
InChIKeyZQYZPHJKKJOFIP-UHFFFAOYSA-N
XLogP1.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
N-[1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 102952007
N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 105025379
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877328
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-(1-methylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755739
N-[1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877484
N-[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025227
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 82876021) is N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C)n1)c1ccn(C)n1.
What is the InChIKey of N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is ZQYZPHJKKJOFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-7-14-13(12-6-9-18(3)16-12)10-11-5-8-17(2)15-11/h5-6,8-9,13-14H,4,7,10H2,1-3H3.
What are the key properties of N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82876021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).