1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

C15H21N7 — CID 72866156

IUPAC1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C
InChIInChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyICKVQHXDUNQWOI-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.95
Rot. Bonds5

About 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (PubChem CID 72866156) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
PubChem CID72866156
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C
InChIInChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyICKVQHXDUNQWOI-UHFFFAOYSA-N
XLogP1.95
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519203
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117141
4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
1-[(1-allyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72900960
(1S)-1-(1-methylimidazol-2-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]butan-1-amine
CID 52387428
4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole
CID 56709973
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1'-isopropyl-1H,1'H-2,2'-biimidazole
CID 56867218
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
4-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1-ethyl-3,5-dimethyl-1H-pyrazole
CID 70728746

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (CID 72866156) is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.
What is the SMILES notation for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The canonical SMILES for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is CCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C.
What is the InChIKey of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The InChIKey is ICKVQHXDUNQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole has a molecular weight of 299.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is sourced from PubChem (CID 72866156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).