(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine

C19H31N5 — CID 94823669

IUPAC(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C19H31N5/c1-15-18(19(23(4)5)24(6)21-15)13-20-17(14-22(2)3)12-16-10-8-7-9-11-16/h7-11,17,20H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyYNSIIZDFHQZLTK-QGZVFWFLSA-N
MW329.49 g/mol
LogP2.06
Rot. Bonds8

About (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine

(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine (PubChem CID 94823669) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
PubChem CID94823669
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C19H31N5/c1-15-18(19(23(4)5)24(6)21-15)13-20-17(14-22(2)3)12-16-10-8-7-9-11-16/h7-11,17,20H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyYNSIIZDFHQZLTK-QGZVFWFLSA-N
XLogP2.06
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281054
N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95152537
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
4-[[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 94775951
(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 95138958
(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 95139543
4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94823725
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598101
N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51104874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine (CID 94823669) is (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine is Cc1nn(C)c(N(C)C)c1CN[C@H](Cc1ccccc1)CN(C)C.
What is the InChIKey of (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine?
The InChIKey is YNSIIZDFHQZLTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5/c1-15-18(19(23(4)5)24(6)21-15)13-20-17(14-22(2)3)12-16-10-8-7-9-11-16/h7-11,17,20H,12-14H2,1-6H3/t17-/m1/s1.
What are the key properties of (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine?
(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine has a molecular weight of 329.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 94823669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).