N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine

C19H26N4O — CID 95152537

IUPACN,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1oc2ccccc2c1C
InChIInChI=1S/C19H26N4O/c1-12-15-9-7-8-10-17(15)24-18(12)14(3)20-11-16-13(2)21-23(6)19(16)22(4)5/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1
InChIKeyURIQDODLDUGLCI-AWEZNQCLSA-N
MW326.44 g/mol
LogP3.70
Rot. Bonds5

About N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine (PubChem CID 95152537) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
PubChem CID95152537
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1oc2ccccc2c1C
InChIInChI=1S/C19H26N4O/c1-12-15-9-7-8-10-17(15)24-18(12)14(3)20-11-16-13(2)21-23(6)19(16)22(4)5/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1
InChIKeyURIQDODLDUGLCI-AWEZNQCLSA-N
XLogP3.70
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine with MolForge

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Related Compounds

1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80684225
1-(3-methyl-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885120
4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94821388
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824212
(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
CID 94823669

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine (CID 95152537) is N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1oc2ccccc2c1C.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The InChIKey is URIQDODLDUGLCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12-15-9-7-8-10-17(15)24-18(12)14(3)20-11-16-13(2)21-23(6)19(16)22(4)5/h7-10,14,20H,11H2,1-6H3/t14-/m0/s1.
What are the key properties of N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine has a molecular weight of 326.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 95152537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).