4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C19H26N6 — CID 51105002

IUPAC4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)12-21-11-16-6-5-7-17(10-16)13-25-9-8-20-14-25/h5-10,14,21H,11-13H2,1-4H3
InChIKeyBLZOEDJDHPGEEE-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.33
Rot. Bonds7

About 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51105002) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51105002
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)12-21-11-16-6-5-7-17(10-16)13-25-9-8-20-14-25/h5-10,14,21H,11-13H2,1-4H3
InChIKeyBLZOEDJDHPGEEE-UHFFFAOYSA-N
XLogP2.33
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51105002) is 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is BLZOEDJDHPGEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)12-21-11-16-6-5-7-17(10-16)13-25-9-8-20-14-25/h5-10,14,21H,11-13H2,1-4H3.
What are the key properties of 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 338.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51105002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).