[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C15H27N5O — CID 66129227

IUPAC[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(CC(C)CN)CC2)n(C)n1
InChIInChI=1S/C15H27N5O/c1-12(10-16)11-19-5-4-6-20(8-7-19)15(21)14-9-13(2)17-18(14)3/h9,12H,4-8,10-11,16H2,1-3H3
InChIKeyFFXLPCHCOURBFF-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.47
Rot. Bonds4

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

[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 66129227) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID66129227
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(CC(C)CN)CC2)n(C)n1
InChIInChI=1S/C15H27N5O/c1-12(10-16)11-19-5-4-6-20(8-7-19)15(21)14-9-13(2)17-18(14)3/h9,12H,4-8,10-11,16H2,1-3H3
InChIKeyFFXLPCHCOURBFF-UHFFFAOYSA-N
XLogP0.47
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104668901
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(2,5-dimethylpyrazol-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56816524
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-hydroxyphenyl)methanone
CID 43252011
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 43251972
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 43252022
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
4-(3-amino-2-methylpropyl)-N-ethyl-N-methyl-1,4-diazepane-1-carboxamide
CID 79159522

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 66129227) is [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCN(CC(C)CN)CC2)n(C)n1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is FFXLPCHCOURBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(10-16)11-19-5-4-6-20(8-7-19)15(21)14-9-13(2)17-18(14)3/h9,12H,4-8,10-11,16H2,1-3H3.
What are the key properties of [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 293.42 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 66129227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).