4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

C19H21N5 — CID 134806660

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCn1cc(CN2CCNc3cc(-c4ccccc4)ncc3C2)cn1
InChIInChI=1S/C19H21N5/c1-23-12-15(10-22-23)13-24-8-7-20-19-9-18(21-11-17(19)14-24)16-5-3-2-4-6-16/h2-6,9-12,20H,7-8,13-14H2,1H3
InChIKeyODZFMZFQTXKSPZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.91
Rot. Bonds3

About 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (PubChem CID 134806660) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
PubChem CID134806660
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCn1cc(CN2CCNc3cc(-c4ccccc4)ncc3C2)cn1
InChIInChI=1S/C19H21N5/c1-23-12-15(10-22-23)13-24-8-7-20-19-9-18(21-11-17(19)14-24)16-5-3-2-4-6-16/h2-6,9-12,20H,7-8,13-14H2,1H3
InChIKeyODZFMZFQTXKSPZ-UHFFFAOYSA-N
XLogP2.91
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 134806667
4-(pyridin-4-ylmethyl)-8-thiophen-3-yl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 134807723
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389655
N-benzyl-4-(2-methoxyethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
CID 134806307
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
(10S)-14-[(1-methylpyrazol-4-yl)methyl]-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
CID 154570473
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 135095517
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (CID 134806660) is 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is Cn1cc(CN2CCNc3cc(-c4ccccc4)ncc3C2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The InChIKey is ODZFMZFQTXKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-12-15(10-22-23)13-24-8-7-20-19-9-18(21-11-17(19)14-24)16-5-3-2-4-6-16/h2-6,9-12,20H,7-8,13-14H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine has a molecular weight of 319.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is sourced from PubChem (CID 134806660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).