1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C15H24N4 — CID 79236414

IUPAC1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1ccc(CNCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H24N4/c1-5-7-19-8-6-14(11-19)9-16-10-15-12(2)17-18(4)13(15)3/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyZDIHCKZJBHVXIO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds6

About 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 79236414) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID79236414
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1ccc(CNCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H24N4/c1-5-7-19-8-6-14(11-19)9-16-10-15-12(2)17-18(4)13(15)3/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyZDIHCKZJBHVXIO-UHFFFAOYSA-N
XLogP2.54
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 60776965
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
1-(4-bromo-3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79174504
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(5-methyl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 103864327
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 79236414) is 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is CCCn1ccc(CNCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZDIHCKZJBHVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-7-19-8-6-14(11-19)9-16-10-15-12(2)17-18(4)13(15)3/h6,8,11,16H,5,7,9-10H2,1-4H3.
What are the key properties of 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79236414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).