N-(2-pyrazol-1-ylethyl)heptan-4-amine

C12H23N3 — CID 61460010

IUPACN-(2-pyrazol-1-ylethyl)heptan-4-amine
SMILESCCCC(CCC)NCCn1cccn1
InChIInChI=1S/C12H23N3/c1-3-6-12(7-4-2)13-9-11-15-10-5-8-14-15/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3
InChIKeySHWLCMGIZLCTSD-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.44
Rot. Bonds8

About N-(2-pyrazol-1-ylethyl)heptan-4-amine

N-(2-pyrazol-1-ylethyl)heptan-4-amine (PubChem CID 61460010) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)heptan-4-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)heptan-4-amine
PubChem CID61460010
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(2-pyrazol-1-ylethyl)heptan-4-amine
SMILESCCCC(CCC)NCCn1cccn1
InChIInChI=1S/C12H23N3/c1-3-6-12(7-4-2)13-9-11-15-10-5-8-14-15/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3
InChIKeySHWLCMGIZLCTSD-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
CID 106230031
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)heptan-4-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)heptan-4-amine (CID 61460010) is N-(2-pyrazol-1-ylethyl)heptan-4-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)heptan-4-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)heptan-4-amine is CCCC(CCC)NCCn1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)heptan-4-amine?
The InChIKey is SHWLCMGIZLCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-6-12(7-4-2)13-9-11-15-10-5-8-14-15/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-(2-pyrazol-1-ylethyl)heptan-4-amine?
N-(2-pyrazol-1-ylethyl)heptan-4-amine has a molecular weight of 209.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)heptan-4-amine is sourced from PubChem (CID 61460010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).