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

C19H26N6 — CID 51105193

IUPACN,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)13-20-12-16-7-5-8-17(11-16)14-25-10-6-9-21-25/h5-11,20H,12-14H2,1-4H3
InChIKeyZLKNBNDCRSTLEG-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.33
Rot. Bonds7

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

N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine (PubChem CID 51105193) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
PubChem CID51105193
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)13-20-12-16-7-5-8-17(11-16)14-25-10-6-9-21-25/h5-11,20H,12-14H2,1-4H3
InChIKeyZLKNBNDCRSTLEG-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 N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine (CID 51105193) is N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1cccc(Cn2cccn2)c1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The InChIKey is ZLKNBNDCRSTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-15-18(19(23(2)3)24(4)22-15)13-20-12-16-7-5-8-17(11-16)14-25-10-6-9-21-25/h5-11,20H,12-14H2,1-4H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-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 N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51105193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).