4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C18H29N5 — CID 51104807

IUPAC4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C
InChIInChI=1S/C18H29N5/c1-14-17(18(22(4)5)23(6)20-14)12-19-11-15-9-7-8-10-16(15)13-21(2)3/h7-10,19H,11-13H2,1-6H3
InChIKeyQGQMPEXJAKPFBC-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.15
Rot. Bonds7

About 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51104807) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51104807
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C
InChIInChI=1S/C18H29N5/c1-14-17(18(22(4)5)23(6)20-14)12-19-11-15-9-7-8-10-16(15)13-21(2)3/h7-10,19H,11-13H2,1-6H3
InChIKeyQGQMPEXJAKPFBC-UHFFFAOYSA-N
XLogP2.15
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51104807) is 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C.
What is the InChIKey of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is QGQMPEXJAKPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-14-17(18(22(4)5)23(6)20-14)12-19-11-15-9-7-8-10-16(15)13-21(2)3/h7-10,19H,11-13H2,1-6H3.
What are the key properties of 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 315.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(dimethylamino)methyl]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51104807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).