N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C15H25N5 — CID 102803708

IUPACN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)nc1C)c1ccnn1CCC
InChIInChI=1S/C15H25N5/c1-5-8-16-15(13-11-19(4)18-12(13)3)14-7-9-17-20(14)10-6-2/h7,9,11,15-16H,5-6,8,10H2,1-4H3
InChIKeyGSACRTQYQKHLBV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.42
Rot. Bonds7

About N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 102803708) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID102803708
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)nc1C)c1ccnn1CCC
InChIInChI=1S/C15H25N5/c1-5-8-16-15(13-11-19(4)18-12(13)3)14-7-9-17-20(14)10-6-2/h7,9,11,15-16H,5-6,8,10H2,1-4H3
InChIKeyGSACRTQYQKHLBV-UHFFFAOYSA-N
XLogP2.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63976817
N-[(2,5-dimethylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 105148161
N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857441
N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 102803721
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 102803708) is N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cn(C)nc1C)c1ccnn1CCC.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is GSACRTQYQKHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-8-16-15(13-11-19(4)18-12(13)3)14-7-9-17-20(14)10-6-2/h7,9,11,15-16H,5-6,8,10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102803708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).