1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine

C11H16N4 — CID 104954401

IUPAC1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccn(C)c1
InChIInChI=1S/C11H16N4/c1-9-11(8-15(3)13-9)12-6-10-4-5-14(2)7-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyMURYBPDBHRHDAV-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine (PubChem CID 104954401) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
PubChem CID104954401
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccn(C)c1
InChIInChI=1S/C11H16N4/c1-9-11(8-15(3)13-9)12-6-10-4-5-14(2)7-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyMURYBPDBHRHDAV-UHFFFAOYSA-N
XLogP1.68
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
N-[(1-methylpyrrol-3-yl)methyl]-2-methylsulfanylaniline
CID 66400207
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine (CID 104954401) is 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine is Cc1nn(C)cc1NCc1ccn(C)c1.
What is the InChIKey of 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is MURYBPDBHRHDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-9-11(8-15(3)13-9)12-6-10-4-5-14(2)7-10/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 104954401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).