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

C14H23N5 — CID 95388298

IUPAC(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCn1nc(C)c(CN[C@@H](C)Cn2ccnc2)c1C
InChIInChI=1S/C14H23N5/c1-5-19-13(4)14(12(3)17-19)8-16-11(2)9-18-7-6-15-10-18/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1
InChIKeyRZOIYQAYVSFHQJ-NSHDSACASA-N
MW261.37 g/mol
LogP1.89
Rot. Bonds6

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

(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 95388298) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID95388298
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCn1nc(C)c(CN[C@@H](C)Cn2ccnc2)c1C
InChIInChI=1S/C14H23N5/c1-5-19-13(4)14(12(3)17-19)8-16-11(2)9-18-7-6-15-10-18/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1
InChIKeyRZOIYQAYVSFHQJ-NSHDSACASA-N
XLogP1.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine with MolForge

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Related Compounds

N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 46980225
N-[2-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 46980578
1-(1H-imidazol-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)propan-2-amine
CID 56715994
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(1H-imidazol-1-yl)propan-2-amine
CID 56718658
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56908814
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70715313
1-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72866156
Dimethyl[(2-{1-[(1,3,5-trimethylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117141
4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 39817809
N-[(4-methyl-1H-imidazol-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 46996898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 95388298) is (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine is CCn1nc(C)c(CN[C@@H](C)Cn2ccnc2)c1C.
What is the InChIKey of (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is RZOIYQAYVSFHQJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5/c1-5-19-13(4)14(12(3)17-19)8-16-11(2)9-18-7-6-15-10-18/h6-7,10-11,16H,5,8-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 95388298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).