3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole

C14H18N6 — CID 56740104

IUPAC3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyMEADGHREWARSRF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.10
Rot. Bonds4

About 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole

3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (PubChem CID 56740104) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
PubChem CID56740104
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1
InChIInChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyMEADGHREWARSRF-UHFFFAOYSA-N
XLogP2.10
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56896993
2-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56904821
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-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56909304
2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-5-[(4-methyl-1H-imidazol-5-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56916510
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
2-{1-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56882221
2-({4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56908417
2-{1-[2-(4-methyl-1-piperazinyl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56910958

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (CID 56740104) is 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is Cc1cc(C)n(CCn2ccnc2-c2nc[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The InChIKey is MEADGHREWARSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-8-11(2)20(18-10)7-6-19-5-4-15-14(19)13-12(3)16-9-17-13/h4-5,8-9H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole has a molecular weight of 270.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is sourced from PubChem (CID 56740104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).