1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine

C13H21N5 — CID 50981190

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCCn1ccnc1CN(C)Cc1cnn(C)c1C
InChIInChI=1S/C13H21N5/c1-5-18-7-6-14-13(18)10-16(3)9-12-8-15-17(4)11(12)2/h6-8H,5,9-10H2,1-4H3
InChIKeyOAFTULOFYRYTDE-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.58
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 50981190) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine
PubChem CID50981190
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCCn1ccnc1CN(C)Cc1cnn(C)c1C
InChIInChI=1S/C13H21N5/c1-5-18-7-6-14-13(18)10-16(3)9-12-8-15-17(4)11(12)2/h6-8H,5,9-10H2,1-4H3
InChIKeyOAFTULOFYRYTDE-UHFFFAOYSA-N
XLogP1.58
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-[2-(1,4-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190592
2-N-[1-[2-(1,5-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190593
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
N,N,6-trimethyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 53586709
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
1-Ethyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 56780535
N,1,3,6-tetramethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751078
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
N,2,5,6-tetramethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrimidin-4-amine
CID 72838340
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
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117141

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine (CID 50981190) is 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine is CCn1ccnc1CN(C)Cc1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is OAFTULOFYRYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-18-7-6-14-13(18)10-16(3)9-12-8-15-17(4)11(12)2/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 50981190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).