5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C20H32N6 — CID 131694748

IUPAC5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(CN2Cc3ccnn3CCC2CN2CCC(C)CC2)n(C)n1
InChIInChI=1S/C20H32N6/c1-16-5-9-24(10-6-16)13-18-7-11-26-19(4-8-21-26)14-25(18)15-20-12-17(2)22-23(20)3/h4,8,12,16,18H,5-7,9-11,13-15H2,1-3H3
InChIKeyKZUHBQAVQGPKGT-UHFFFAOYSA-N
MW356.52 g/mol
LogP2.43
Rot. Bonds4

About 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 131694748) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID131694748
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(CN2Cc3ccnn3CCC2CN2CCC(C)CC2)n(C)n1
InChIInChI=1S/C20H32N6/c1-16-5-9-24(10-6-16)13-18-7-11-26-19(4-8-21-26)14-25(18)15-20-12-17(2)22-23(20)3/h4,8,12,16,18H,5-7,9-11,13-15H2,1-3H3
InChIKeyKZUHBQAVQGPKGT-UHFFFAOYSA-N
XLogP2.43
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethylpyrazol-3-yl)methyl]-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839991
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426481
5-[(3-bromopyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 80676862
1-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155844510
2-(bromomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]azepane
CID 116638368
5-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 80690501
(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79419332
5-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 114800374
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131695501
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992666
3-bromo-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine
CID 80679515

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 131694748) is 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is Cc1cc(CN2Cc3ccnn3CCC2CN2CCC(C)CC2)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is KZUHBQAVQGPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-16-5-9-24(10-6-16)13-18-7-11-26-19(4-8-21-26)14-25(18)15-20-12-17(2)22-23(20)3/h4,8,12,16,18H,5-7,9-11,13-15H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 356.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(4-methylpiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 131694748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).