3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C14H23N5 — CID 86808394

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1cc(C)n(CCCNCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C14H23N5/c1-10-8-11(2)19(18-10)7-5-6-15-9-14-12(3)16-17-13(14)4/h8,15H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyJLIKIUYEWOGENB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 86808394) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID86808394
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1cc(C)n(CCCNCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C14H23N5/c1-10-8-11(2)19(18-10)7-5-6-15-9-14-12(3)16-17-13(14)4/h8,15H,5-7,9H2,1-4H3,(H,16,17)
InChIKeyJLIKIUYEWOGENB-UHFFFAOYSA-N
XLogP2.02
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
N-[(2-chloro-4-methylphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 106863309
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616
3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 78809935
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804287
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 86808394) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1cc(C)n(CCCNCc2c(C)n[nH]c2C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is JLIKIUYEWOGENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-8-11(2)19(18-10)7-5-6-15-9-14-12(3)16-17-13(14)4/h8,15H,5-7,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 86808394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).