3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine

C15H26N6 — CID 146554374

IUPAC3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
SMILESCC(C)n1cc(CNCCC(C)n2cc(CN)cn2)cn1
InChIInChI=1S/C15H26N6/c1-12(2)20-11-15(9-18-20)7-17-5-4-13(3)21-10-14(6-16)8-19-21/h8-13,17H,4-7,16H2,1-3H3
InChIKeySLTOHAUNEOERFY-UHFFFAOYSA-N
MW290.42 g/mol
LogP1.86
Rot. Bonds8

About 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine

3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 146554374) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID146554374
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
SMILESCC(C)n1cc(CNCCC(C)n2cc(CN)cn2)cn1
InChIInChI=1S/C15H26N6/c1-12(2)20-11-15(9-18-20)7-17-5-4-13(3)21-10-14(6-16)8-19-21/h8-13,17H,4-7,16H2,1-3H3
InChIKeySLTOHAUNEOERFY-UHFFFAOYSA-N
XLogP1.86
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
2-methylsulfonyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115623018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
N-[(1-propan-2-ylpyrazol-4-yl)methyl]hex-5-yn-1-amine
CID 115694223
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
3-butoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 113234781
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine (CID 146554374) is 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine is CC(C)n1cc(CNCCC(C)n2cc(CN)cn2)cn1.
What is the InChIKey of 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is SLTOHAUNEOERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-12(2)20-11-15(9-18-20)7-17-5-4-13(3)21-10-14(6-16)8-19-21/h8-13,17H,4-7,16H2,1-3H3.
What are the key properties of 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine?
3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 290.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 146554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).