[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone

C23H24N4O2 — CID 138387348

IUPAC[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCN(Cc2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C23H24N4O2/c1-25-20(10-11-24-25)23(28)27-13-5-12-26(14-15-27)16-17-6-4-8-19-18-7-2-3-9-21(18)29-22(17)19/h2-4,6-11H,5,12-16H2,1H3
InChIKeyXABCUKGOUJPWBX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.67
Rot. Bonds3

About [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 138387348) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID138387348
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCN(Cc2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C23H24N4O2/c1-25-20(10-11-24-25)23(28)27-13-5-12-26(14-15-27)16-17-6-4-8-19-18-7-2-3-9-21(18)29-22(17)19/h2-4,6-11H,5,12-16H2,1H3
InChIKeyXABCUKGOUJPWBX-UHFFFAOYSA-N
XLogP3.67
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 138383820
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23739584
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 131928604
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
(2-methylpyrazol-3-yl)-[3-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131687578
[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45205230

Frequently Asked Questions

What is the IUPAC name of [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 138387348) is [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCN(Cc2cccc3c2oc2ccccc23)CC1.
What is the InChIKey of [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is XABCUKGOUJPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25-20(10-11-24-25)23(28)27-13-5-12-26(14-15-27)16-17-6-4-8-19-18-7-2-3-9-21(18)29-22(17)19/h2-4,6-11H,5,12-16H2,1H3.
What are the key properties of [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 138387348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).