(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

C19H28N6O — CID 138387793

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
SMILESCCCc1cnc(C)nc1N1CCCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C19H28N6O/c1-5-7-16-13-20-15(3)21-18(16)24-8-6-9-25(11-10-24)19(26)17-12-14(2)22-23(17)4/h12-13H,5-11H2,1-4H3
InChIKeyARVOZZIAKRDORI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.13
Rot. Bonds4

About (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138387793) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138387793
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
SMILESCCCc1cnc(C)nc1N1CCCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C19H28N6O/c1-5-7-16-13-20-15(3)21-18(16)24-8-6-9-25(11-10-24)19(26)17-12-14(2)22-23(17)4/h12-13H,5-11H2,1-4H3
InChIKeyARVOZZIAKRDORI-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 138383444
[6-(dimethylamino)-3-pyridinyl]-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138386158
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129227
(2,5-dimethylpyrazol-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56816524
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138808982

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone (CID 138387793) is (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone is CCCc1cnc(C)nc1N1CCCN(C(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is ARVOZZIAKRDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-5-7-16-13-20-15(3)21-18(16)24-8-6-9-25(11-10-24)19(26)17-12-14(2)22-23(17)4/h12-13H,5-11H2,1-4H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138387793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).