4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C14H24N6 — CID 94823725

IUPAC4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)Cn1ccnc1
InChIInChI=1S/C14H24N6/c1-11(9-20-7-6-15-10-20)16-8-13-12(2)17-19(5)14(13)18(3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyAIAYAFMXHKTRQP-NSHDSACASA-N
MW276.39 g/mol
LogP1.17
Rot. Bonds6

About 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 94823725) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID94823725
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)Cn1ccnc1
InChIInChI=1S/C14H24N6/c1-11(9-20-7-6-15-10-20)16-8-13-12(2)17-19(5)14(13)18(3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyAIAYAFMXHKTRQP-NSHDSACASA-N
XLogP1.17
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 62741188
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 56706674
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824212

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 94823725) is 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CN[C@@H](C)Cn1ccnc1.
What is the InChIKey of 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is AIAYAFMXHKTRQP-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N6/c1-11(9-20-7-6-15-10-20)16-8-13-12(2)17-19(5)14(13)18(3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 94823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).